tert-butyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H29N3O3S/c1-16-5-10-20-21(15-16)32-23(27-20)18-6-8-19(9-7-18)26-22(29)17-11-13-28(14-12-17)24(30)31-25(2,3)4/h5-10,15,17H,11-14H2,1-4H3,(H,26,29)