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

Systemtic Name: (E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O2S2/c1-12(24)20-14-8-9-15-16(11-14)27-19(21-15)23-18(26)22-17(25)10-7-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,24)(H2,21,22,23,25,26)/b10-7+