(3E)-1-methyl-1-[2-[methyl-(1-pyridin-3-ylcyclohexyl)carbothioyl-amino]ethyl]-3-methylsulfonylimino-urea

Systemtic Name: (3E)-1-methyl-1-[2-[methyl-(1-pyridin-3-ylcyclohexyl)carbothioyl-amino]ethyl]-3-methylsulfonylimino-urea Openeye Name: (3E)-1-methyl-1-[2-[methyl-[1-(3-pyridyl)cyclohexanecarbothioyl]amino]ethyl]-3-methylsulfonylimino-urea CAS Name: (3E)-1-methyl-1-[2-[methyl-[[1-(3-pyridinyl)cyclohexyl]-sulfanylidenemethyl]amino]ethyl]-3-methylsulfonyliminourea IUPAC Name: (3E)-1-methyl-1-[2-[methyl-(1-pyridin-3-ylcyclohexanecarbothioyl)amino]ethyl]-3-methylsulfonyliminourea Traditional Name: (3E)-3-mesylimino-1-methyl-1-[2-[methyl-[1-(3-pyridyl)cyclohexanecarbothioyl]amino]ethyl]urea Formula: C18H27N5O3S2 MolecularWeight: 425.56868

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN(C)C(=O)N=NS(=O)(=O)C)C(=S)C1(CCCCC1)C2=CN=CC=C2

Isomeric SMILES

CN(CCN(C)C(=O)/N=N/S(=O)(=O)C)C(=S)C1(CCCCC1)C2=CN=CC=C2

InChI

InChI=1S/C18H27N5O3S2/c1-22(12-13-23(2)17(24)20-21-28(3,25)26)16(27)18(9-5-4-6-10-18)15-8-7-11-19-14-15/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3/b21-20+