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

Systemtic Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]butanamide Openeye Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]butanamide CAS Name: N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]butanamide Traditional Name: N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]butyramide Formula: C15H18N4O2S2 MolecularWeight: 350.45902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CC

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CC

InChI

InChI=1S/C15H18N4O2S2/c1-3-5-13(21)18-14(22)16-9-6-7-10-11(8-9)23-15(17-10)19-12(20)4-2/h6-8H,3-5H2,1-2H3,(H,17,19,20)(H2,16,18,21,22)