3,5-bis(chloranyl)-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dichloro-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dichloro-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dichloro-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]benzamide Formula: C19H19Cl2N3O2S MolecularWeight: 424.34406

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2N3O2S/c1-11(2)7-17(25)22-15-3-5-16(6-4-15)23-19(27)24-18(26)12-8-13(20)10-14(21)9-12/h3-6,8-11H,7H2,1-2H3,(H,22,25)(H2,23,24,26,27)