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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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