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

Systemtic Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]hexanamide Openeye Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]hexanamide CAS Name: N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]hexanamide Traditional Name: N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]hexanamide Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S2/c1-3-5-6-7-15(23)20-16(24)18-11-8-9-12-13(10-11)25-17(19-12)21-14(22)4-2/h8-10H,3-7H2,1-2H3,(H,19,21,22)(H2,18,20,23,24)