(E)-2-[3-[(4-nitrophenyl)carbamothioylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-2-[3-[(4-nitrophenyl)carbamothioylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[3-[(4-nitrophenyl)carbamothioylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[3-[[(4-nitroanilino)-sulfanylidenemethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[3-[(4-nitrophenyl)carbamothioylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[3-[(4-nitrophenyl)thiocarbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(CCC=CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(CC/C=C/C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C24H22N4O4S/c29-23(30)22(9-2-1-5-17-6-4-14-25-16-17)18-7-3-8-20(15-18)27-24(33)26-19-10-12-21(13-11-19)28(31)32/h1,3-8,10-16,22H,2,9H2,(H,29,30)(H2,26,27,33)/b5-1+