N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3,4-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=CC(=C(C=C2)C)C

Isomeric SMILES

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

InChI

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