O-[[(5R,6R)-5-[2-(3,4-dichlorophenyl)ethanoyl-methyl-amino]-6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl]] N,N-dimethylcarbamothioate

Systemtic Name: O-[[(5R,6R)-5-[2-(3,4-dichlorophenyl)ethanoyl-methyl-amino]-6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl]] N,N-dimethylcarbamothioate Openeye Name: O-[(1R,2R)-1-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-2-pyrrolidin-1-yl-tetralin-5-yl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid O-[[(5R,6R)-5-[[2-(3,4-dichlorophenyl)-1-oxoethyl]-methylamino]-6-(1-pyrrolidinyl)-5,6,7,8-tetrahydronaphthalen-1-yl]] ester IUPAC Name: O-[[(5R,6R)-5-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl]] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid O-[(1R,2R)-1-[[2-(3,4-dichlorophenyl)acetyl]-methyl-amino]-2-pyrrolidino-tetralin-5-yl] ester Formula: C26H31Cl2N3O2S MolecularWeight: 520.51424

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)OC1=CC=CC2=C1CCC(C2N(C)C(=O)CC3=CC(=C(C=C3)Cl)Cl)N4CCCC4

Isomeric SMILES

CN(C)C(=S)OC1=CC=CC2=C1CC[C@H]([C@@H]2N(C)C(=O)CC3=CC(=C(C=C3)Cl)Cl)N4CCCC4

InChI

InChI=1S/C26H31Cl2N3O2S/c1-29(2)26(34)33-23-8-6-7-19-18(23)10-12-22(31-13-4-5-14-31)25(19)30(3)24(32)16-17-9-11-20(27)21(28)15-17/h6-9,11,15,22,25H,4-5,10,12-14,16H2,1-3H3/t22-,25-/m1/s1