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

Systemtic Name: tert-butyl N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-oxo-butyl]carbamate CAS Name: N-[4-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-oxobutyl]carbamate Traditional Name: N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H30N4O3S/c1-21(2,3)28-20(27)22-10-6-9-19(26)25-13-11-24(12-14-25)15-18-23-16-7-4-5-8-17(16)29-18/h4-5,7-8H,6,9-15H2,1-3H3,(H,22,27)