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

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-methoxyphenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]acrylamide Formula: C18H14N4O4S2 MolecularWeight: 414.45816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4S2/c1-26-13-6-2-11(3-7-13)4-9-16(23)20-17(27)21-18-19-14-8-5-12(22(24)25)10-15(14)28-18/h2-10H,1H3,(H2,19,20,21,23,27)/b9-4+