3-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide CAS Name: 3-[[2-[[1-(3-chlorophenyl)-2-imidazolyl]thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[[1-(3-chlorophenyl)imidazol-2-yl]thio]acetyl]amino]propionamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN4O2S/c22-17-7-4-8-18(13-17)26-12-10-24-21(26)29-15-20(28)25(11-9-19(23)27)14-16-5-2-1-3-6-16/h1-8,10,12-13H,9,11,14-15H2,(H2,23,27)