(diphenylmethyl) carbamimidothioate; 4-methylbenzenesulfonic acid

Systemtic Name: (diphenylmethyl) carbamimidothioate; 4-methylbenzenesulfonic acid Openeye Name: 2-benzhydrylisothiourea; 4-methylbenzenesulfonic acid CAS Name: carbamimidothioic acid (diphenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzhydryl carbamimidothioate; 4-methylbenzenesulfonic acid Traditional Name: 2-benzhydrylisothiourea; tosylic acid Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2S.C7H8O3S/c15-14(16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,13H,(H3,15,16);2-5H,1H3,(H,8,9,10)