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

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]acrylamide Formula: C17H11ClN4O3S2 MolecularWeight: 418.87724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN4O3S2/c18-11-4-1-10(2-5-11)3-8-15(23)20-16(26)21-17-19-13-7-6-12(22(24)25)9-14(13)27-17/h1-9H,(H2,19,20,21,23,26)/b8-3+