(7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid; (2-oxidanyl-1,2-diphenyl-ethyl) carbamimidothioate

Systemtic Name: (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid; (2-oxidanyl-1,2-diphenyl-ethyl) carbamimidothioate Openeye Name: (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonic acid; 2-(2-hydroxy-1,2-diphenyl-ethyl)isothiourea CAS Name: carbamimidothioic acid (2-hydroxy-1,2-diphenylethyl) ester; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid IUPAC Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid; (2-hydroxy-1,2-diphenylethyl) carbamimidothioate Traditional Name: 2-(2-hydroxy-1,2-diphenyl-ethyl)isothiourea; (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonic acid Formula: C25H32N2O5S2 MolecularWeight: 504.66198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2OS.C10H16O4S/c16-15(17)19-14(12-9-5-2-6-10-12)13(18)11-7-3-1-4-8-11;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h1-10,13-14,18H,(H3,16,17);7H,3-6H2,1-2H3,(H,12,13,14)