[2-[2-[[2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamino]ethylamino]methyl]phenyl]sulfanylphenyl]methanol

Systemtic Name: [2-[2-[[2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamino]ethylamino]methyl]phenyl]sulfanylphenyl]methanol Openeye Name: [2-[2-[[2-[[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamino]ethylamino]methyl]phenyl]sulfanylphenyl]methanol CAS Name: [2-[[2-[[2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamino]ethylamino]methyl]phenyl]thio]phenyl]methanol IUPAC Name: [2-[2-[[2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamino]ethylamino]methyl]phenyl]sulfanylphenyl]methanol Traditional Name: [2-[[2-[[2-[[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylamino]ethylamino]methyl]phenyl]thio]phenyl]methanol Formula: C36H48N2OS MolecularWeight: 556.84412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNCCNCC4=CC=CC=C4SC5=CC=CC=C5CO)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CNCCNCC4=CC=CC=C4SC5=CC=CC=C5CO)C

InChI

InChI=1S/C36H48N2OS/c1-26(2)27-14-16-31-28(22-27)15-17-34-35(3,18-9-19-36(31,34)4)25-38-21-20-37-23-29-10-5-7-12-32(29)40-33-13-8-6-11-30(33)24-39/h5-8,10-14,16,22,26,34,37-39H,9,15,17-21,23-25H2,1-4H3/t34-,35-,36+/m0/s1