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

Systemtic Name: (E)-3-[(4-chlorophenyl)sulfanylcarbamoylamino]-2-phenyl-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-3-[(4-chlorophenyl)sulfanylcarbamoylamino]-2-phenyl-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-3-[[[[(4-chlorophenyl)thio]amino]-oxomethyl]amino]-2-phenyl-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-3-[(4-chlorophenyl)sulfanylcarbamoylamino]-2-phenyl-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-3-[[(4-chlorophenyl)thio]carbamoylamino]-2-phenyl-6-(3-pyridyl)hex-5-enoic acid Formula: C24H22ClN3O3S MolecularWeight: 467.96778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CC=CC2=CN=CC=C2)NC(=O)NSC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(C/C=C/C2=CN=CC=C2)NC(=O)NSC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C24H22ClN3O3S/c25-19-11-13-20(14-12-19)32-28-24(31)27-21(10-4-6-17-7-5-15-26-16-17)22(23(29)30)18-8-2-1-3-9-18/h1-9,11-16,21-22H,10H2,(H,29,30)(H2,27,28,31)/b6-4+