tert-butyl N-[2-[2-(1-benzothiophen-2-yl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[2-(1-benzothiophen-2-yl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[2-(benzothiophen-2-yl)-4-(1-methyl-4-piperidyl)piperazin-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[2-[2-(1-benzothiophen-2-yl)-4-(1-methyl-4-piperidinyl)-1-piperazinyl]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[2-(1-benzothiophen-2-yl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate Traditional Name: N-[2-[2-(benzothiophen-2-yl)-4-(1-methyl-4-piperidyl)piperazino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C25H36N4O3S MolecularWeight: 472.64334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1C2=CC3=CC=CC=C3S2)C4CCN(CC4)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1C2=CC3=CC=CC=C3S2)C4CCN(CC4)C

InChI

InChI=1S/C25H36N4O3S/c1-25(2,3)32-24(31)26-16-23(30)29-14-13-28(19-9-11-27(4)12-10-19)17-20(29)22-15-18-7-5-6-8-21(18)33-22/h5-8,15,19-20H,9-14,16-17H2,1-4H3,(H,26,31)