(4-cyclobutyl-1,4-diazepan-1-yl)-(6-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: (4-cyclobutyl-1,4-diazepan-1-yl)-(6-phenylsulfanylpyridin-3-yl)methanone Openeye Name: (4-cyclobutyl-1,4-diazepan-1-yl)-(6-phenylsulfanyl-3-pyridyl)methanone CAS Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(phenylthio)-3-pyridinyl]methanone IUPAC Name: (4-cyclobutyl-1,4-diazepan-1-yl)-(6-phenylsulfanylpyridin-3-yl)methanone Traditional Name: (4-cyclobutyl-1,4-diazepan-1-yl)-[6-(phenylthio)-3-pyridyl]methanone Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCCN(CC2)C(=O)C3=CN=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CC(C1)N2CCCN(CC2)C(=O)C3=CN=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H25N3OS/c25-21(24-13-5-12-23(14-15-24)18-6-4-7-18)17-10-11-20(22-16-17)26-19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2