ethyl 4-[[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)isonipecotoyl]amino]benzoic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C

InChI

InChI=1S/C24H27N3O3S/c1-4-30-23(29)18-5-7-19(8-6-18)25-22(28)17-9-11-27(12-10-17)24-26-21-16(3)13-15(2)14-20(21)31-24/h5-8,13-14,17H,4,9-12H2,1-3H3,(H,25,28)