methyl N-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-N-(phenylmethyl)carbamate

Systemtic Name: methyl N-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-N-(phenylmethyl)carbamate Openeye Name: methyl N-[4-(azepan-1-yl)-2-methyl-5-(2-thienyl)-1,2,4-oxadiazolidin-3-yl]-N-benzyl-carbamate CAS Name: N-[4-(1-azepanyl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-N-(phenylmethyl)carbamic acid methyl ester IUPAC Name: methyl N-[4-(azepan-1-yl)-2-methyl-5-thiophen-2-yl-1,2,4-oxadiazolidin-3-yl]-N-benzylcarbamate Traditional Name: N-[4-(azepan-1-yl)-2-methyl-5-(2-thienyl)-1,2,4-oxadiazolidin-3-yl]-N-benzyl-carbamic acid methyl ester Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(C(O1)C2=CC=CS2)N3CCCCCC3)N(CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C(N(C(O1)C2=CC=CS2)N3CCCCCC3)N(CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H30N4O3S/c1-23-21(25(22(27)28-2)17-18-11-6-5-7-12-18)26(24-14-8-3-4-9-15-24)20(29-23)19-13-10-16-30-19/h5-7,10-13,16,20-21H,3-4,8-9,14-15,17H2,1-2H3