(E)-N-[(2-chlorophenyl)methylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(2-chlorophenyl)methylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(2-chlorophenyl)methylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[(2-chlorophenyl)methylamino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(2-chlorophenyl)methylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(2-chlorobenzyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O3S/c18-15-7-2-1-5-13(15)11-19-17(25)20-16(22)9-8-12-4-3-6-14(10-12)21(23)24/h1-10H,11H2,(H2,19,20,22,25)/b9-8+