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

Systemtic Name: (E)-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O4S/c28-23(14-9-19-7-4-8-21(17-19)27(29)30)26-24(32)25-20-10-12-22(13-11-20)31-16-15-18-5-2-1-3-6-18/h4,7-14,17-18H,1-3,5-6,15-16H2,(H2,25,26,28,32)/b14-9+