(E)-3-phenyl-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-phenyl-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-3-phenyl-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-phenyl-N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]acrylamide Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S2/c1-2-17(25)24-20-22-15-10-9-14(12-16(15)28-20)21-19(27)23-18(26)11-8-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,22,24,25)(H2,21,23,26,27)/b11-8+