tert-butyl N-[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonylphenyl]carbamate Openeye Name: tert-butyl N-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[4-(2-thenoyl)piperazine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)28-20(27)22-16-8-6-15(7-9-16)18(25)23-10-12-24(13-11-23)19(26)17-5-4-14-29-17/h4-9,14H,10-13H2,1-3H3,(H,22,27)