[6-(4-chlorophenyl)sulfanylpyridin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-(4-chlorophenyl)sulfanylpyridin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(4-chlorophenyl)sulfanyl-3-pyridyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone CAS Name: [6-[(4-chlorophenyl)thio]-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone IUPAC Name: [6-(4-chlorophenyl)sulfanylpyridin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone Traditional Name: [6-[(4-chlorophenyl)thio]-3-pyridyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3OS/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2