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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-[(4-methylphenyl)-thiophen-2-yl-methyl]ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-[p-tolyl(2-thienyl)methyl]acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-[p-tolyl(2-thienyl)methyl]acetamide Formula: C27H30N4OS MolecularWeight: 458.6183

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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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4OS/c1-21-5-11-24(12-6-21)27(25-4-2-17-33-25)29-26(32)20-31-14-3-13-30(15-16-31)19-23-9-7-22(18-28)8-10-23/h2,4-12,17,27H,3,13-16,19-20H2,1H3,(H,29,32)