1-[(1-methylimidazol-2-yl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(1-methylimidazol-2-yl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(1-methylimidazol-2-yl)methyl]-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-[(1-methyl-2-imidazolyl)methyl]-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-[(1-methylimidazol-2-yl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[(1-methylimidazol-2-yl)methyl]-4-(3-thenyl)-1,4-diazepane Formula: C15H22N4S MolecularWeight: 290.42698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C15H22N4S/c1-17-7-4-16-15(17)12-19-6-2-5-18(8-9-19)11-14-3-10-20-13-14/h3-4,7,10,13H,2,5-6,8-9,11-12H2,1H3