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

Systemtic Name: (E)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-3-(3-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(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5S/c1-2-3-4-5-15-32-20-12-10-18(11-13-20)22(29)25-26-23(33)24-21(28)14-9-17-7-6-8-19(16-17)27(30)31/h6-14,16H,2-5,15H2,1H3,(H,25,29)(H2,24,26,28,33)/b14-9+