3-[[(1-methylimidazol-2-yl)-thiophen-2-yl-methyl]amino]azepan-2-one

Systemtic Name: 3-[[(1-methylimidazol-2-yl)-thiophen-2-yl-methyl]amino]azepan-2-one Openeye Name: 3-[[(1-methylimidazol-2-yl)-(2-thienyl)methyl]amino]azepan-2-one CAS Name: 3-[[(1-methyl-2-imidazolyl)-thiophen-2-ylmethyl]amino]-2-azepanone IUPAC Name: 3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]azepan-2-one Traditional Name: 3-[[(1-methylimidazol-2-yl)-(2-thienyl)methyl]amino]azepan-2-one Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CS2)NC3CCCCNC3=O

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CS2)NC3CCCCNC3=O

InChI

InChI=1S/C15H20N4OS/c1-19-9-8-16-14(19)13(12-6-4-10-21-12)18-11-5-2-3-7-17-15(11)20/h4,6,8-11,13,18H,2-3,5,7H2,1H3,(H,17,20)