[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(phenylthio)-3-pyridyl]methanone Formula: C22H24N4OS2 MolecularWeight: 424.58216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS2/c1-17-24-18(16-28-17)15-25-11-6-12-26(14-13-25)22(27)20-9-5-10-23-21(20)29-19-7-3-2-4-8-19/h2-5,7-10,16H,6,11-15H2,1H3