2-[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[3-(methylthio)-1-oxopropyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[3-(methylthio)propanoyl]-1,4-diazepan-1-yl]acetamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCCN(CC1)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CSCCC(=O)N1CCCN(CC1)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O2S/c1-24-13-8-18(23)21-10-5-9-20(11-12-21)15-17(22)19-14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3,(H,19,22)