[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-1,4-diazepan-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-1,4-diazepan-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-(2-chloro-5-methylsulfanyl-benzoyl)-1,4-diazepan-1-yl]-(4-pyridyl)methanone CAS Name: [4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone IUPAC Name: [4-(2-chloro-5-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[2-chloro-5-(methylthio)benzoyl]-1,4-diazepan-1-yl]-(4-pyridyl)methanone Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCCN(CC2)C(=O)C3=CC=NC=C3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCCN(CC2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C19H20ClN3O2S/c1-26-15-3-4-17(20)16(13-15)19(25)23-10-2-9-22(11-12-23)18(24)14-5-7-21-8-6-14/h3-8,13H,2,9-12H2,1H3