(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazol-2-yl)carbonylphenyl]propanamide

Systemtic Name: (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazol-2-yl)carbonylphenyl]propanamide Openeye Name: (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide CAS Name: (2S)-2-[(4-chlorophenyl)thio]-N-[4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]propanamide IUPAC Name: (2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide Traditional Name: (2S)-2-[(4-chlorophenyl)thio]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propionamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C2=NC=CN2C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C2=NC=CN2C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-13(27-17-9-5-15(21)6-10-17)20(26)23-16-7-3-14(4-8-16)18(25)19-22-11-12-24(19)2/h3-13H,1-2H3,(H,23,26)/t13-/m0/s1