N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(1-amino-3-methylsulfanyl-propyl)-N-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]thiazole-4-carboxamide CAS Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-[1-amino-3-(methylthio)propyl]-4-thiazolecarboxamide IUPAC Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-amino-3-(methylthio)propyl]-N-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]thiazole-4-carboxamide Formula: C28H41N3OS2 MolecularWeight: 499.77464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=O)C4=CSC(=N4)C(CCSC)N)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=O)C4=CSC(=N4)C(CCSC)N)C

InChI

InChI=1S/C28H41N3OS2/c1-18(2)19-7-9-21-20(15-19)8-10-24-27(3,12-6-13-28(21,24)4)17-30-25(32)23-16-34-26(31-23)22(29)11-14-33-5/h7,9,15-16,18,22,24H,6,8,10-14,17,29H2,1-5H3,(H,30,32)