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

Systemtic Name: (E)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O4S/c1-11-2-4-12(5-3-11)6-9-16(24)20-18(28)22-21-17(25)13-7-8-14(19)15(10-13)23(26)27/h2-10H,1H3,(H,21,25)(H2,20,22,24,28)/b9-6+