(E)-N-[[(4-chlorophenyl)carbonylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[(4-chlorophenyl)carbonylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[(4-chlorobenzoyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[(4-chlorobenzoyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[(4-chlorobenzoyl)amino]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O4S/c18-13-7-5-12(6-8-13)16(24)20-21-17(27)19-15(23)9-4-11-2-1-3-14(10-11)22(25)26/h1-10H,(H,20,24)(H2,19,21,23,27)/b9-4+