(7,7-dimethyl-3-bicyclo[2.2.1]heptanyl) carbamimidothioate; 4-methylbenzenesulfonic acid

Systemtic Name: (7,7-dimethyl-3-bicyclo[2.2.1]heptanyl) carbamimidothioate; 4-methylbenzenesulfonic acid Openeye Name: 2-(7,7-dimethylnorbornan-2-yl)isothiourea; 4-methylbenzenesulfonic acid CAS Name: carbamimidothioic acid (7,7-dimethyl-3-bicyclo[2.2.1]heptanyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: (7,7-dimethyl-3-bicyclo[2.2.1]heptanyl) carbamimidothioate; 4-methylbenzenesulfonic acid Traditional Name: 2-(7,7-dimethylnorbornan-2-yl)isothiourea; tosylic acid Formula: C17H26N2O3S2 MolecularWeight: 370.52994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C2CCC1C(C2)SC(=N)N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C2CCC1C(C2)SC(=N)N)C

InChI

InChI=1S/C10H18N2S.C7H8O3S/c1-10(2)6-3-4-7(10)8(5-6)13-9(11)12;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H,3-5H2,1-2H3,(H3,11,12);2-5H,1H3,(H,8,9,10)