2-[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(5-methylsulfanyl-2-thienyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[[5-(methylthio)-2-thiophenyl]methyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[[5-(methylthio)-2-thienyl]methyl]-1,4-diazepan-1-yl]acetamide Formula: C20H27N3OS2 MolecularWeight: 389.57788

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)CN2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(S1)CN2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H27N3OS2/c1-25-20-9-8-18(26-20)15-22-10-5-11-23(13-12-22)16-19(24)21-14-17-6-3-2-4-7-17/h2-4,6-9H,5,10-16H2,1H3,(H,21,24)