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

Systemtic Name: (E)-N-[(3-hexoxyphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(3-hexoxyphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(3-hexoxyanilino)-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(3-hexoxyphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(3-hexoxyphenyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4S/c1-2-3-4-5-14-29-20-11-7-9-18(16-20)23-22(30)24-21(26)13-12-17-8-6-10-19(15-17)25(27)28/h6-13,15-16H,2-5,14H2,1H3,(H2,23,24,26,30)/b13-12+