tert-butyl N-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[3-[4-(3-thienylmethyl)piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-(3-thenyl)piperazine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C21H27N3O3S/c1-21(2,3)27-20(26)22-18-6-4-5-17(13-18)19(25)24-10-8-23(9-11-24)14-16-7-12-28-15-16/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,26)