(5-methylsulfanylthiophen-2-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-methylsulfanylthiophen-2-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-methylsulfanyl-2-thienyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [5-(methylthio)-2-thiophenyl]-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-methylsulfanylthiophen-2-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [5-(methylthio)-2-thienyl]-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C17H21N3OS2 MolecularWeight: 347.49814

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC3=CN=CC=C3

InChI

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