1-[4-(4-methyl-1-methylsulfanyl-isoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(4-methyl-1-methylsulfanyl-isoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[(4-methyl-1-methylsulfanyl-5-isoquinolyl)sulfonyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[4-methyl-1-(methylthio)-5-isoquinolinyl]sulfonyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(4-methyl-1-methylsulfanylisoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[[4-methyl-1-(methylthio)-5-isoquinolyl]sulfonyl]-1,4-diazepan-1-yl]ethanone Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C2=C1C(=CC=C2)S(=O)(=O)N3CCCN(CC3)C(=O)C)SC

Isomeric SMILES

CC1=CN=C(C2=C1C(=CC=C2)S(=O)(=O)N3CCCN(CC3)C(=O)C)SC

InChI

InChI=1S/C18H23N3O3S2/c1-13-12-19-18(25-3)15-6-4-7-16(17(13)15)26(23,24)21-9-5-8-20(10-11-21)14(2)22/h4,6-7,12H,5,8-11H2,1-3H3