4-[[4-(3,4-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]amino]benzoate Openeye Name: 4-[[4-(3,4-dimethylphenyl)-5-propyl-thiazol-2-yl]amino]benzoate CAS Name: 4-[[4-(3,4-dimethylphenyl)-5-propyl-2-thiazolyl]amino]benzoate IUPAC Name: 4-[[4-(3,4-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 4-[[4-(3,4-dimethylphenyl)-5-propyl-thiazol-2-yl]amino]benzoate Formula: C21H21N2O2S- MolecularWeight: 365.46864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)NC2=CC=C(C=C2)C(=O)[O-])C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCC1=C(N=C(S1)NC2=CC=C(C=C2)C(=O)[O-])C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H22N2O2S/c1-4-5-18-19(16-7-6-13(2)14(3)12-16)23-21(26-18)22-17-10-8-15(9-11-17)20(24)25/h6-12H,4-5H2,1-3H3,(H,22,23)(H,24,25)/p-1