methyl N'-(4-butoxyphenyl)sulfonyl-N-(4-chlorophenyl)carbamimidothioate

Systemtic Name: methyl N'-(4-butoxyphenyl)sulfonyl-N-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-(4-butoxyphenyl)sulfonyl-1-(4-chlorophenyl)-2-methyl-isothiourea CAS Name: N'-(4-butoxyphenyl)sulfonyl-N-(4-chlorophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-butoxyphenyl)sulfonyl-N-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-(4-butoxyphenyl)sulfonyl-1-(4-chlorophenyl)-2-methyl-isothiourea Formula: C18H21ClN2O3S2 MolecularWeight: 412.95394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)/N=C(/NC2=CC=C(C=C2)Cl)\SC

InChI

InChI=1S/C18H21ClN2O3S2/c1-3-4-13-24-16-9-11-17(12-10-16)26(22,23)21-18(25-2)20-15-7-5-14(19)6-8-15/h5-12H,3-4,13H2,1-2H3,(H,20,21)