N-[(butanoylamino)carbamothioyl]-4-chloranyl-benzamide

Systemtic Name: N-[(butanoylamino)carbamothioyl]-4-chloranyl-benzamide Openeye Name: N-[(butanoylamino)carbamothioyl]-4-chloro-benzamide CAS Name: 4-chloro-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(butanoylamino)carbamothioyl]-4-chlorobenzamide Traditional Name: N-(butyramidothiocarbamoyl)-4-chloro-benzamide Formula: C12H14ClN3O2S MolecularWeight: 299.77646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O2S/c1-2-3-10(17)15-16-12(19)14-11(18)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H,15,17)(H2,14,16,18,19)