3-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]-1-(4-methylsulfanylphenyl)propan-1-one

Systemtic Name: 3-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]-1-(4-methylsulfanylphenyl)propan-1-one Openeye Name: 3-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]-1-(4-methylsulfanylphenyl)propan-1-one CAS Name: 3-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]-1-[4-(methylthio)phenyl]-1-propanone IUPAC Name: 3-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]-1-(4-methylsulfanylphenyl)propan-1-one Traditional Name: 3-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]-1-[4-(methylthio)phenyl]propan-1-one Formula: C30H41NOS MolecularWeight: 463.71764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNCCC(=O)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNCCC(=O)C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C30H41NOS/c1-21(2)23-9-13-26-24(19-23)10-14-28-29(3,16-6-17-30(26,28)4)20-31-18-15-27(32)22-7-11-25(33-5)12-8-22/h7-9,11-13,19,21,28,31H,6,10,14-18,20H2,1-5H3