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

Systemtic Name: 4-phenylmethoxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Openeye Name: 4-benzyloxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: 4-phenylmethoxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Traditional Name: 4-benzoxy-N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]benzamide Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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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=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S2/c1-2-22(30)28-25-27-20-13-10-18(14-21(20)34-25)26-24(33)29-23(31)17-8-11-19(12-9-17)32-15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,27,28,30)(H2,26,29,31,33)