tert-butyl N-[4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]phenyl]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)NC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

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