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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: 3,4-dimethyl-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-4-6-18(24)21-16-7-5-8-17(12-16)22-20(26)23-19(25)15-10-9-13(2)14(3)11-15/h5,7-12H,4,6H2,1-3H3,(H,21,24)(H2,22,23,25,26)