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

Systemtic Name: (E)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5S/c1-2-3-4-5-16-32-20-13-9-18(10-14-20)22(29)25-26-23(33)24-21(28)15-8-17-6-11-19(12-7-17)27(30)31/h6-15H,2-5,16H2,1H3,(H,25,29)(H2,24,26,28,33)/b15-8+