3-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: 3-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-(benzylcarbamoyl)propanamide CAS Name: 3-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: 3-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(benzylcarbamoyl)propanamide Traditional Name: 3-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-(benzylcarbamoyl)propionamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)CCSC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)CCSC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c21-25-14-17(16-9-5-2-6-10-16)23-20(25)28-12-11-18(26)24-19(27)22-13-15-7-3-1-4-8-15/h1-10,14H,11-13,21H2,(H2,22,24,26,27)