(4-cyclohexyl-4-oxidanylidene-butyl) carbamimidothioate; 4-methylbenzenesulfonic acid

Systemtic Name: (4-cyclohexyl-4-oxidanylidene-butyl) carbamimidothioate; 4-methylbenzenesulfonic acid Openeye Name: 2-(4-cyclohexyl-4-oxo-butyl)isothiourea; 4-methylbenzenesulfonic acid CAS Name: carbamimidothioic acid (4-cyclohexyl-4-oxobutyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: (4-cyclohexyl-4-oxobutyl) carbamimidothioate; 4-methylbenzenesulfonic acid Traditional Name: 2-(4-cyclohexyl-4-keto-butyl)isothiourea; tosylic acid Formula: C18H28N2O4S2 MolecularWeight: 400.55592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)C(=O)CCCSC(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)C(=O)CCCSC(=N)N

InChI

InChI=1S/C11H20N2OS.C7H8O3S/c12-11(13)15-8-4-7-10(14)9-5-2-1-3-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h9H,1-8H2,(H3,12,13);2-5H,1H3,(H,8,9,10)