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

Systemtic Name: 3,5-bis(chloranyl)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dichloro-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dichloro-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dichloro-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C18H17Cl2N3O2S MolecularWeight: 410.31748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2N3O2S/c1-3-16(24)22-15-9-14(5-4-10(15)2)21-18(26)23-17(25)11-6-12(19)8-13(20)7-11/h4-9H,3H2,1-2H3,(H,22,24)(H2,21,23,25,26)