tert-butyl 4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H31N3O3S/c1-23(2,3)29-22(28)25-13-10-16(11-14-25)21(27)26-12-6-7-17(15-26)20-24-18-8-4-5-9-19(18)30-20/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3