3-(4-chloranyl-3-nitro-phenyl)-N-[[(4-chlorophenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-N-[[(4-chlorophenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: N-[[(4-chlorobenzoyl)amino]carbamothioyl]-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: 3-(4-chloro-3-nitrophenyl)-N-[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: N-[[(4-chlorobenzoyl)amino]carbamothioyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: N-[[(4-chlorobenzoyl)amino]thiocarbamoyl]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C17H12Cl2N4O4S MolecularWeight: 439.27258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC(=S)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC(=S)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12Cl2N4O4S/c18-12-5-3-11(4-6-12)16(25)21-22-17(28)20-15(24)8-2-10-1-7-13(19)14(9-10)23(26)27/h1-9H,(H,21,25)(H2,20,22,24,28)