tert-butyl N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-oxo-butyl]carbamate CAS Name: N-[4-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxobutyl]carbamate Traditional Name: N-[4-[4-(1,3-benzothiazol-2-yl)piperidino]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H29N3O3S/c1-21(2,3)27-20(26)22-12-6-9-18(25)24-13-10-15(11-14-24)19-23-16-7-4-5-8-17(16)28-19/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,22,26)