N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-4-5-18(25)22-14-7-9-16(21)17(11-14)23-20(27)24-19(26)15-8-6-12(2)10-13(15)3/h6-11H,4-5H2,1-3H3,(H,22,25)(H2,23,24,26,27)