methyl N'-[(2-chloranyl-6-phenoxy-phenyl)methyl]-N-(phenylsulfonyl)carbamimidothioate

Systemtic Name: methyl N'-[(2-chloranyl-6-phenoxy-phenyl)methyl]-N-(phenylsulfonyl)carbamimidothioate Openeye Name: 1-(benzenesulfonyl)-3-[(2-chloro-6-phenoxy-phenyl)methyl]-2-methyl-isothiourea CAS Name: N-(benzenesulfonyl)-N'-[(2-chloro-6-phenoxyphenyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-(benzenesulfonyl)-N'-[(2-chloro-6-phenoxyphenyl)methyl]carbamimidothioate Traditional Name: 1-besyl-3-(2-chloro-6-phenoxy-benzyl)-2-methyl-isothiourea Formula: C21H19ClN2O3S2 MolecularWeight: 446.97016

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=C(C=CC=C1Cl)OC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSC(=NCC1=C(C=CC=C1Cl)OC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O3S2/c1-28-21(24-29(25,26)17-11-6-3-7-12-17)23-15-18-19(22)13-8-14-20(18)27-16-9-4-2-5-10-16/h2-14H,15H2,1H3,(H,23,24)