(E)-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C16H11ClN4O5S MolecularWeight: 406.80034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O5S/c17-13-6-5-11(9-14(13)21(25)26)18-16(27)19-15(22)7-4-10-2-1-3-12(8-10)20(23)24/h1-9H,(H2,18,19,22,27)/b7-4+