N-[1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[1-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C25H37N3O4S MolecularWeight: 475.64398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C25H37N3O4S/c1-32-22-10-6-5-9-20(22)23(29)26-21(13-18-33-2)25(31)28-16-11-19(12-17-28)24(30)27-14-7-3-4-8-15-27/h5-6,9-10,19,21H,3-4,7-8,11-18H2,1-2H3,(H,26,29)