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

Systemtic Name: [1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: 1-[(3,4-dimethylphenyl)carbamoyl]propyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-(3,4-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3,4-dimethylanilino)-1-oxobutan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid 1-[(3,4-dimethylphenyl)carbamoyl]propyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O3S/c1-4-22(24(29)27-18-14-13-16(2)17(3)15-18)31-26(30)20-10-6-5-9-19(20)25-28-21-11-7-8-12-23(21)32-25/h5-15,22H,4H2,1-3H3,(H,27,29)