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

Systemtic Name: tert-butyl N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S/c1-20(2,3)27-19(26)21-9-8-18(25)24-12-10-23(11-13-24)14-17-22-15-6-4-5-7-16(15)28-17/h4-7H,8-14H2,1-3H3,(H,21,26)