tert-butyl N-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[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=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

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

InChI

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