2-[[3-[[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]carbamoyl-(4-piperidin-1-ylphenyl)carbamoyl]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-[[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]carbamoyl-(4-piperidin-1-ylphenyl)carbamoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-[[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methyleneamino]carbamoyl-[4-(1-piperidyl)phenyl]carbamoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[[N-[[(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-oxomethyl]-4-(1-piperidinyl)anilino]-oxomethyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-[[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]carbamoyl-(4-piperidin-1-ylphenyl)carbamoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-[[(E)-[4-chloro-3-(trifluoromethyl)benzylidene]amino]carbamoyl-(4-piperidinophenyl)carbamoyl]benzyl]thio]acetic acid Formula: C30H28ClF3N4O4S MolecularWeight: 633.08093

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)N(C(=O)C3=CC(=CC=C3)CSCC(=O)O)C(=O)NN=CC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)N(C(=O)C3=CC(=CC=C3)CSCC(=O)O)C(=O)N/N=C/C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C30H28ClF3N4O4S/c31-26-12-7-20(16-25(26)30(32,33)34)17-35-36-29(42)38(24-10-8-23(9-11-24)37-13-2-1-3-14-37)28(41)22-6-4-5-21(15-22)18-43-19-27(39)40/h4-12,15-17H,1-3,13-14,18-19H2,(H,36,42)(H,39,40)/b35-17+