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

Systemtic Name: 3-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethanoyl-(2-methoxyphenyl)amino]propanamide Openeye Name: 3-(N-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]-2-methoxy-anilino)propanamide CAS Name: 3-(N-[2-[[1-(3-chlorophenyl)-2-imidazolyl]thio]-1-oxoethyl]-2-methoxyanilino)propanamide IUPAC Name: 3-(N-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]-2-methoxyanilino)propanamide Traditional Name: 3-(N-[2-[[1-(3-chlorophenyl)imidazol-2-yl]thio]acetyl]-2-methoxy-anilino)propionamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC(=O)N)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1N(CCC(=O)N)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN4O3S/c1-29-18-8-3-2-7-17(18)26(11-9-19(23)27)20(28)14-30-21-24-10-12-25(21)16-6-4-5-15(22)13-16/h2-8,10,12-13H,9,11,14H2,1H3,(H2,23,27)