O-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]] N-naphthalen-1-ylcarbamothioate

Systemtic Name: O-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]] N-naphthalen-1-ylcarbamothioate Openeye Name: O-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]] N-(1-naphthyl)carbamothioate CAS Name: N-(1-naphthalenyl)carbamothioic acid O-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]] ester IUPAC Name: O-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]] N-naphthalen-1-ylcarbamothioate Traditional Name: N-(1-naphthyl)thiocarbamic acid O-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]] ester Formula: C38H55NOS MolecularWeight: 573.9144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=S)NC5=CC=CC6=CC=CC=C65)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=S)NC5=CC=CC6=CC=CC=C65)C)C

InChI

InChI=1S/C38H55NOS/c1-25(2)10-8-11-26(3)32-18-19-33-31-17-16-28-24-29(20-22-37(28,4)34(31)21-23-38(32,33)5)40-36(41)39-35-15-9-13-27-12-6-7-14-30(27)35/h6-7,9,12-15,25-26,28-29,31-34H,8,10-11,16-24H2,1-5H3,(H,39,41)/t26-,28+,29+,31+,32-,33+,34+,37+,38-/m1/s1