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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(S3)SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(S3)SC

InChI

InChI=1S/C20H27N3OS2/c1-16(24)21-18-6-4-17(5-7-18)14-22-10-3-11-23(13-12-22)15-19-8-9-20(25-2)26-19/h4-9H,3,10-15H2,1-2H3,(H,21,24)