N-[(butanoylamino)carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[(butanoylamino)carbamothioyl]-3-methyl-benzamide Openeye Name: N-[(butanoylamino)carbamothioyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(butanoylamino)carbamothioyl]-3-methylbenzamide Traditional Name: N-(butyramidothiocarbamoyl)-3-methyl-benzamide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C13H17N3O2S/c1-3-5-11(17)15-16-13(19)14-12(18)10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3,(H,15,17)(H2,14,16,18,19)