ethyl 4-[1,3-benzothiazol-2-yl-(4-ethylphenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1,3-benzothiazol-2-yl-(4-ethylphenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[1,3-benzothiazol-2-yl-(4-ethylphenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[N-(1,3-benzothiazol-2-yl)-4-ethylanilino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1,3-benzothiazol-2-yl-(4-ethylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[1,3-benzothiazol-2-yl-(4-ethylphenyl)carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)C(=O)OCC

InChI

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