2-[5-(4-chlorophenyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

Systemtic Name: 2-[5-(4-chlorophenyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Openeye Name: 2-[1-benzyl-5-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide CAS Name: 2-[[5-(4-chlorophenyl)-1-(phenylmethyl)-2-imidazolyl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: 2-[1-benzyl-5-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Traditional Name: 2-[[1-benzyl-5-(4-chlorophenyl)imidazol-2-yl]thio]-N-(methylcarbamoyl)propionamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)SC1=NC=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC(=O)NC)SC1=NC=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-14(19(27)25-20(28)23-2)29-21-24-12-18(16-8-10-17(22)11-9-16)26(21)13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H2,23,25,27,28)