adamantane-1-sulfonic acid; (phenylmethyl) carbamimidothioate

Systemtic Name: adamantane-1-sulfonic acid; (phenylmethyl) carbamimidothioate Openeye Name: adamantane-1-sulfonic acid; 2-benzylisothiourea CAS Name: 1-adamantanesulfonic acid; carbamimidothioic acid (phenylmethyl) ester IUPAC Name: adamantane-1-sulfonic acid; benzyl carbamimidothioate Traditional Name: adamantane-1-sulfonic acid; 2-benzylisothiourea Formula: C18H26N2O3S2 MolecularWeight: 382.54064

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)S(=O)(=O)O.C1=CC=C(C=C1)CSC(=N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)S(=O)(=O)O.C1=CC=C(C=C1)CSC(=N)N

InChI

InChI=1S/C10H16O3S.C8H10N2S/c11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10;9-8(10)11-6-7-4-2-1-3-5-7/h7-9H,1-6H2,(H,11,12,13);1-5H,6H2,(H3,9,10)