4-chloranyl-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]butanamide

Systemtic Name: 4-chloranyl-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]butanamide Openeye Name: 4-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]butanamide CAS Name: 4-chloro-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]butanamide Traditional Name: 4-chloro-N-[(2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoyl]butyramide Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=S)NC(=O)CCCCl)NC(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1NC(=S)NC(=O)CCCCl)NC(=O)N2

InChI

InChI=1S/C12H13ClN4O2S/c13-5-1-2-10(18)17-12(20)14-7-3-4-8-9(6-7)16-11(19)15-8/h3-4,6H,1-2,5H2,(H2,15,16,19)(H2,14,17,18,20)