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

Systemtic Name: 4-methylbenzenesulfonic acid; (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) carbamimidothioate Openeye Name: 4-methylbenzenesulfonic acid; 2-(1,7,7-trimethylnorbornan-2-yl)isothiourea CAS Name: carbamimidothioic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) carbamimidothioate Traditional Name: 2-(2-bornyl)isothiourea; tosylic acid Formula: C18H28N2O3S2 MolecularWeight: 384.55652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C2CCC1(C(C2)SC(=N)N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C2CCC1(C(C2)SC(=N)N)C)C

InChI

InChI=1S/C11H20N2S.C7H8O3S/c1-10(2)7-4-5-11(10,3)8(6-7)14-9(12)13;1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,4-6H2,1-3H3,(H3,12,13);2-5H,1H3,(H,8,9,10)