3-chloranyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]benzamide Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O2S/c1-12(2)10-17(24)21-15-6-8-16(9-7-15)22-19(26)23-18(25)13-4-3-5-14(20)11-13/h3-9,11-12H,10H2,1-2H3,(H,21,24)(H2,22,23,25,26)