N-[(4-methylphenyl)methyl]-4-(2-thiophen-2-ylethanoyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-4-(2-thiophen-2-ylethanoyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(p-tolylmethyl)-4-[2-(2-thienyl)acetyl]-1,4-diazepane-1-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-4-(1-oxo-2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-(2-thiophen-2-ylacetyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-methylbenzyl)-4-[2-(2-thienyl)acetyl]-1,4-diazepane-1-carboxamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)N2CCCN(CC2)C(=O)CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N2CCCN(CC2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c1-16-5-7-17(8-6-16)15-21-20(25)23-10-3-9-22(11-12-23)19(24)14-18-4-2-13-26-18/h2,4-8,13H,3,9-12,14-15H2,1H3,(H,21,25)