N-[(4-methylphenyl)-thiophen-2-yl-methyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-[(4-methylphenyl)-thiophen-2-yl-methyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[p-tolyl(2-thienyl)methyl]acetamide CAS Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[p-tolyl(2-thienyl)methyl]acetamide Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3OS/c1-21-10-12-23(13-11-21)26(24-9-5-18-31-24)27-25(30)20-29-15-6-14-28(16-17-29)19-22-7-3-2-4-8-22/h2-5,7-13,18,26H,6,14-17,19-20H2,1H3,(H,27,30)