N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C19H16N6O2S3 MolecularWeight: 456.56434

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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=CC4=NSN=C4C=C3

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C19H16N6O2S3/c1-2-3-16(26)22-19-21-13-7-5-11(9-15(13)29-19)20-18(28)23-17(27)10-4-6-12-14(8-10)25-30-24-12/h4-9H,2-3H2,1H3,(H,21,22,26)(H2,20,23,27,28)