4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-N-[2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(2,6-dimethylanilino)-2-keto-ethyl]-N-[2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)NCCC3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C22H30N4O2S/c1-17-6-3-7-18(2)21(17)24-20(27)16-25-11-5-12-26(14-13-25)22(28)23-10-9-19-8-4-15-29-19/h3-4,6-8,15H,5,9-14,16H2,1-2H3,(H,23,28)(H,24,27)