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

Systemtic Name: tert-butyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(methylthio)-1,3-benzothiazol-6-yl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C19H25N3O3S2/c1-19(2,3)25-18(24)22-9-7-12(8-10-22)16(23)20-13-5-6-14-15(11-13)27-17(21-14)26-4/h5-6,11-12H,7-10H2,1-4H3,(H,20,23)