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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: 3-chloro-4-methyl-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O2S/c1-3-5-17(24)21-14-6-4-7-15(11-14)22-19(26)23-18(25)13-9-8-12(2)16(20)10-13/h4,6-11H,3,5H2,1-2H3,(H,21,24)(H2,22,23,25,26)