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

Systemtic Name: (E)-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-3-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O4S/c1-2-26-14-7-3-12(4-8-14)5-10-17(23)21-18(27)20-13-6-9-15(19)16(11-13)22(24)25/h3-11H,2H2,1H3,(H2,20,21,23,27)/b10-5+