3-chloranyl-4-methyl-N-[[4-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methyl-N-[[4-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-methyl-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-methyl-N-[[4-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methyl-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-methyl-N-[[4-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C23H20ClN3O2S MolecularWeight: 437.9418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H20ClN3O2S/c1-15-7-8-17(14-20(15)24)22(29)27-23(30)26-19-11-9-18(10-12-19)25-21(28)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,25,28)(H2,26,27,29,30)