butyl 2-[(4-propan-2-ylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(4-propan-2-ylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(4-isopropylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-(4-propan-2-ylphenyl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(4-propan-2-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(cumoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H24N2O3S/c1-4-5-12-27-21(26)17-10-11-18-19(13-17)28-22(23-18)24-20(25)16-8-6-15(7-9-16)14(2)3/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,24,25)