[2-(1,3-benzothiazol-2-yl)-4-[(4-tert-butylphenyl)carbonylamino]phenyl] 4-tert-butylbenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)-4-[(4-tert-butylphenyl)carbonylamino]phenyl] 4-tert-butylbenzoate Openeye Name: [2-(1,3-benzothiazol-2-yl)-4-[(4-tert-butylbenzoyl)amino]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(1,3-benzothiazol-2-yl)-4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)-4-[(4-tert-butylbenzoyl)amino]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(1,3-benzothiazol-2-yl)-4-[(4-tert-butylbenzoyl)amino]phenyl] ester Formula: C35H34N2O3S MolecularWeight: 562.72106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C35H34N2O3S/c1-34(2,3)24-15-11-22(12-16-24)31(38)36-26-19-20-29(27(21-26)32-37-28-9-7-8-10-30(28)41-32)40-33(39)23-13-17-25(18-14-23)35(4,5)6/h7-21H,1-6H3,(H,36,38)