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

Systemtic Name: (E)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C17H12N4O3S2 MolecularWeight: 384.43218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O3S2/c22-15(9-6-11-4-2-1-3-5-11)19-16(25)20-17-18-13-8-7-12(21(23)24)10-14(13)26-17/h1-10H,(H2,18,19,20,22,25)/b9-6+