3-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide CAS Name: 3-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(benzylcarbamoyl)-3-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]propionamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCC(=O)NC(=O)NCC2=CC=CC=C2)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCCC(=O)NC(=O)NCC2=CC=CC=C2)C)C

InChI

InChI=1S/C20H28N4O2S/c1-4-5-12-24-16(3)15(2)22-20(24)27-13-11-18(25)23-19(26)21-14-17-9-7-6-8-10-17/h6-10H,4-5,11-14H2,1-3H3,(H2,21,23,25,26)