[1-[(4-methylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: 1-(p-tolylcarbamoyl)propyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-(4-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxobutan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid 1-(p-tolylcarbamoyl)propyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H22N2O3S/c1-3-21(23(28)26-17-14-12-16(2)13-15-17)30-25(29)19-9-5-4-8-18(19)24-27-20-10-6-7-11-22(20)31-24/h4-15,21H,3H2,1-2H3,(H,26,28)