tert-butyl N-[[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[4-(2-thienylmethyl)piperazine-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-[4-(2-thenyl)piperazine-1-carbonyl]benzyl]carbamic acid tert-butyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C22H29N3O3S/c1-22(2,3)28-21(27)23-15-17-6-8-18(9-7-17)20(26)25-12-10-24(11-13-25)16-19-5-4-14-29-19/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,27)