3-chloranyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl)OC

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl)OC

InChI

InChI=1S/C19H20ClN3O3S/c1-11(2)17(24)22-15-8-7-14(10-16(15)26-3)21-19(27)23-18(25)12-5-4-6-13(20)9-12/h4-11H,1-3H3,(H,22,24)(H2,21,23,25,27)