(E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Openeye Name: (E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide CAS Name: (E)-N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-(4-chlorophenyl)-2-propenamide IUPAC Name: (E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Traditional Name: (E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-(4-chlorophenyl)acrylamide Formula: C19H15ClN4O2S2 MolecularWeight: 430.931

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O2S2/c1-11(25)21-14-7-8-15-16(10-14)28-19(22-15)24-18(27)23-17(26)9-4-12-2-5-13(20)6-3-12/h2-10H,1H3,(H,21,25)(H2,22,23,24,26,27)/b9-4+