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

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(2-thiophen-2-ylethanoyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-[2-(2-thienyl)acetyl]-1,4-diazepane-1-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-(1-oxo-2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(2-thiophen-2-ylacetyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-[2-(2-thienyl)acetyl]-1,4-diazepane-1-carboxamide Formula: C19H22ClN3O2S MolecularWeight: 391.91488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2Cl)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2Cl)C(=O)CC3=CC=CS3

InChI

InChI=1S/C19H22ClN3O2S/c20-17-7-2-1-5-15(17)14-21-19(25)23-9-4-8-22(10-11-23)18(24)13-16-6-3-12-26-16/h1-3,5-7,12H,4,8-11,13-14H2,(H,21,25)