methyl N-(4-aminophenyl)sulfonyl-N'-cyclohexyl-carbamimidothioate

Systemtic Name: methyl N-(4-aminophenyl)sulfonyl-N'-cyclohexyl-carbamimidothioate Openeye Name: 1-(4-aminophenyl)sulfonyl-3-cyclohexyl-2-methyl-isothiourea CAS Name: N-(4-aminophenyl)sulfonyl-N'-cyclohexylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-aminophenyl)sulfonyl-N'-cyclohexylcarbamimidothioate Traditional Name: 3-cyclohexyl-2-methyl-1-sulfanilyl-isothiourea Formula: C14H21N3O2S2 MolecularWeight: 327.46544

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CSC(=NC1CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H21N3O2S2/c1-20-14(16-12-5-3-2-4-6-12)17-21(18,19)13-9-7-11(15)8-10-13/h7-10,12H,2-6,15H2,1H3,(H,16,17)