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

Systemtic Name: ethyl N-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]carbamate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-2-26-20(25)21-17-7-3-6-16(14-17)19(24)23-10-5-9-22(11-12-23)15-18-8-4-13-27-18/h3-4,6-8,13-14H,2,5,9-12,15H2,1H3,(H,21,25)