methyl N-cyano-N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-(2,4,6-triisopropylphenyl)sulfonyl-isothiourea CAS Name: N-cyano-N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylcarbamimidothioate Traditional Name: 1-cyano-2-methyl-3-(2,4,6-triisopropylphenyl)sulfonyl-isothiourea Formula: C18H27N3O2S2 MolecularWeight: 381.55588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N=C(NC#N)SC)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)/N=C(/NC#N)\SC)C(C)C

InChI

InChI=1S/C18H27N3O2S2/c1-11(2)14-8-15(12(3)4)17(16(9-14)13(5)6)25(22,23)21-18(24-7)20-10-19/h8-9,11-13H,1-7H3,(H,20,21)