4-[[methyl-[4-[4-[methyl-[[4-(2-methylpropylsulfanyl)phenyl]methyl]amino]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[methyl-[4-[4-[methyl-[[4-(2-methylpropylsulfanyl)phenyl]methyl]amino]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[4-[4-[(4-isobutylsulfanylphenyl)methyl-methyl-amino]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid CAS Name: 4-[[methyl-[4-[4-[methyl-[[4-(2-methylpropylthio)phenyl]methyl]amino]phenyl]-2-thiazolyl]amino]methyl]benzoic acid IUPAC Name: 4-[[methyl-[4-[4-[methyl-[[4-(2-methylpropylsulfanyl)phenyl]methyl]amino]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-[[4-(isobutylthio)benzyl]-methyl-amino]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid Formula: C30H33N3O2S2 MolecularWeight: 531.73192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC=C(C=C1)CN(C)C2=CC=C(C=C2)C3=CSC(=N3)N(C)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)CSC1=CC=C(C=C1)CN(C)C2=CC=C(C=C2)C3=CSC(=N3)N(C)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C30H33N3O2S2/c1-21(2)19-36-27-15-7-23(8-16-27)17-32(3)26-13-11-24(12-14-26)28-20-37-30(31-28)33(4)18-22-5-9-25(10-6-22)29(34)35/h5-16,20-21H,17-19H2,1-4H3,(H,34,35)