N-[4-[[4-(2-methoxy-4-methylsulfanyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2-methoxy-4-methylsulfanyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2-methoxy-4-methylsulfanyl-benzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[2-methoxy-4-(methylthio)benzoyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C23H29N3O3S/c1-17(27)24-19-7-5-18(6-8-19)16-25-11-4-12-26(14-13-25)23(28)21-10-9-20(30-3)15-22(21)29-2/h5-10,15H,4,11-14,16H2,1-3H3,(H,24,27)