(5-methylsulfanylthiophen-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-methylsulfanylthiophen-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-methylsulfanyl-2-thienyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [5-(methylthio)-2-thiophenyl]-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-methylsulfanylthiophen-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [5-(methylthio)-2-thienyl]-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C17H21N3OS2 MolecularWeight: 347.49814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C17H21N3OS2/c1-22-16-7-6-15(23-16)17(21)20-10-4-9-19(11-12-20)13-14-5-2-3-8-18-14/h2-3,5-8H,4,9-13H2,1H3