N-[[4-(butanoylamino)-3-chloranyl-phenyl]carbamothioyl]-2-methyl-benzamide

Systemtic Name: N-[[4-(butanoylamino)-3-chloranyl-phenyl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[4-(butanoylamino)-3-chloro-phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[3-chloro-4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[4-(butanoylamino)-3-chlorophenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[(4-butyramido-3-chloro-phenyl)thiocarbamoyl]-2-methyl-benzamide Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2C)Cl

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2C)Cl

InChI

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