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

Systemtic Name: (E)-2-[3-[(2-chlorophenyl)carbamothioylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[3-[(2-chlorophenyl)carbamothioylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[3-[[(2-chloroanilino)-sulfanylidenemethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[3-[(2-chlorophenyl)carbamothioylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[3-[(2-chlorophenyl)thiocarbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C24H22ClN3O2S MolecularWeight: 451.96838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NC2=CC=CC(=C2)C(CCC=CC3=CN=CC=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NC2=CC=CC(=C2)C(CC/C=C/C3=CN=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C24H22ClN3O2S/c25-21-12-3-4-13-22(21)28-24(31)27-19-10-5-9-18(15-19)20(23(29)30)11-2-1-7-17-8-6-14-26-16-17/h1,3-10,12-16,20H,2,11H2,(H,29,30)(H2,27,28,31)/b7-1+