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

Systemtic Name: (Z)-6-[3-[(3-chlorophenyl)sulfanylcarbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(3-chlorophenyl)sulfanylcarbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[[[(3-chlorophenyl)thio]amino]-oxomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(3-chlorophenyl)sulfanylcarbamoylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[[(3-chlorophenyl)thio]carbamoylamino]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(=CC(=C1)NC(=O)NSC2=CC(=CC=C2)Cl)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NSC2=CC(=CC=C2)Cl)/C(=C/CCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C24H22ClN3O3S/c25-19-8-4-10-21(15-19)32-28-24(31)27-20-9-3-6-17(14-20)22(11-1-2-12-23(29)30)18-7-5-13-26-16-18/h3-11,13-16H,1-2,12H2,(H,29,30)(H2,27,28,31)/b22-11-