(Z)-6-[3-[(4-nitrophenyl)sulfanylcarbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (Z)-6-[3-[(4-nitrophenyl)sulfanylcarbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(4-nitrophenyl)sulfanylcarbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[[[(4-nitrophenyl)thio]amino]-oxomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(4-nitrophenyl)sulfanylcarbamoylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[[(4-nitrophenyl)thio]carbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NSC2=CC=C(C=C2)[N+](=O)[O-])C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NSC2=CC=C(C=C2)[N+](=O)[O-])/C(=C/CCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C24H22N4O5S/c29-23(30)9-2-1-8-22(18-6-4-14-25-16-18)17-5-3-7-19(15-17)26-24(31)27-34-21-12-10-20(11-13-21)28(32)33/h3-8,10-16H,1-2,9H2,(H,29,30)(H2,26,27,31)/b22-8-