N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(2-pyridylthio)acetamide Formula: C27H36N2OS MolecularWeight: 436.65254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=O)CSC4=CC=CC=N4)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=O)CSC4=CC=CC=N4)C

InChI

InChI=1S/C27H36N2OS/c1-19(2)20-9-11-22-21(16-20)10-12-23-26(3,13-7-14-27(22,23)4)18-29-24(30)17-31-25-8-5-6-15-28-25/h5-6,8-9,11,15-16,19,23H,7,10,12-14,17-18H2,1-4H3,(H,29,30)