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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]thiophene-2-carboxamide Formula: C17H16N4O2S3 MolecularWeight: 404.52954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S3/c1-2-4-14(22)20-17-19-11-7-6-10(9-13(11)26-17)18-16(24)21-15(23)12-5-3-8-25-12/h3,5-9H,2,4H2,1H3,(H,19,20,22)(H2,18,21,23,24)