N'-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-1-(4-methylsulfanylphenyl)propane-1,3-diamine dihydrochloride

Systemtic Name: N'-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-1-(4-methylsulfanylphenyl)propane-1,3-diamine dihydrochloride Openeye Name: N'-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-1-(4-methylsulfanylphenyl)propane-1,3-diamine dihydrochloride CAS Name: N'-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-1-[4-(methylthio)phenyl]propane-1,3-diamine dihydrochloride IUPAC Name: N'-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-1-(4-methylsulfanylphenyl)propane-1,3-diamine dihydrochloride Traditional Name: [3-amino-3-[4-(methylthio)phenyl]propyl]-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]amine dihydrochloride Formula: C30H46Cl2N2S MolecularWeight: 537.67064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNCCC(C4=CC=C(C=C4)SC)N)C.Cl.Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNCCC(C4=CC=C(C=C4)SC)N)C.Cl.Cl

InChI

InChI=1S/C30H44N2S.2ClH/c1-21(2)23-9-13-26-24(19-23)10-14-28-29(3,16-6-17-30(26,28)4)20-32-18-15-27(31)22-7-11-25(33-5)12-8-22;;/h7-9,11-13,19,21,27-28,32H,6,10,14-18,20,31H2,1-5H3;2*1H