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

Systemtic Name: 3-(2-methylpropoxy)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]benzamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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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(=CC=C3)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S2/c1-4-19(27)25-22-24-17-9-8-15(11-18(17)31-22)23-21(30)26-20(28)14-6-5-7-16(10-14)29-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,24,25,27)(H2,23,26,28,30)