methyl 4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]amino]methyl]benzoate Openeye Name: methyl 4-[[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]anilino]methyl]benzoate CAS Name: 4-[[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]anilino]methyl]benzoate Traditional Name: 4-[[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]anilino]methyl]benzoic acid methyl ester Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)C(=O)OC)NC3=NC(=CS3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)C(=O)OC)NC3=NC(=CS3)C4=CN=CC=C4

InChI

InChI=1S/C24H22N4O2S/c1-16-5-10-20(26-13-17-6-8-18(9-7-17)23(29)30-2)12-21(16)27-24-28-22(15-31-24)19-4-3-11-25-14-19/h3-12,14-15,26H,13H2,1-2H3,(H,27,28)