1-[(1-methylimidazol-2-yl)methyl]-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[(5-methylsulfanyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(1-methyl-2-imidazolyl)methyl]-4-[[5-(methylthio)-2-thiophenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[[5-(methylthio)-2-thienyl]methyl]-1,4-diazepane Formula: C16H24N4S2 MolecularWeight: 336.51856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)CC3=CC=C(S3)SC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)CC3=CC=C(S3)SC

InChI

InChI=1S/C16H24N4S2/c1-18-9-6-17-15(18)13-20-8-3-7-19(10-11-20)12-14-4-5-16(21-2)22-14/h4-6,9H,3,7-8,10-13H2,1-2H3