azepan-1-yl-[1-(2-methoxy-4-methylsulfanyl-phenyl)carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(2-methoxy-4-methylsulfanyl-phenyl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(2-methoxy-4-methylsulfanyl-benzoyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(2-methoxy-4-methylsulfanylbenzoyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[2-methoxy-4-(methylthio)benzoyl]-4-piperidyl]methanone Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N2O3S/c1-26-19-15-17(27-2)7-8-18(19)21(25)23-13-9-16(10-14-23)20(24)22-11-5-3-4-6-12-22/h7-8,15-16H,3-6,9-14H2,1-2H3