N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]thiophene-2-carboxamide Formula: C16H14N4O2S3 MolecularWeight: 390.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C16H14N4O2S3/c1-2-13(21)19-16-18-10-6-5-9(8-12(10)25-16)17-15(23)20-14(22)11-4-3-7-24-11/h3-8H,2H2,1H3,(H,18,19,21)(H2,17,20,22,23)