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

Systemtic Name: (Z)-6-[3-[(4-methylphenyl)sulfanylcarbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-(p-tolylsulfanylcarbamoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[[[(4-methylphenyl)thio]amino]-oxomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(4-methylphenyl)sulfanylcarbamoylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-[(p-tolylthio)carbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SNC(=O)NC2=CC=CC(=C2)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SNC(=O)NC2=CC=CC(=C2)/C(=C/CCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C25H25N3O3S/c1-18-11-13-22(14-12-18)32-28-25(31)27-21-8-4-6-19(16-21)23(9-2-3-10-24(29)30)20-7-5-15-26-17-20/h4-9,11-17H,2-3,10H2,1H3,(H,29,30)(H2,27,28,31)/b23-9-