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

Systemtic Name: (E)-N-[(3-heptoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(3-heptoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(3-heptoxyanilino)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(3-heptoxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(3-heptoxyphenyl)thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O4S/c1-2-3-4-5-6-16-30-21-9-7-8-19(17-21)24-23(31)25-22(27)15-12-18-10-13-20(14-11-18)26(28)29/h7-15,17H,2-6,16H2,1H3,(H2,24,25,27,31)/b15-12+