(5-ethanoyl-2-methoxy-phenyl)methyl N-(3-fluorophenyl)-N'-(phenylsulfonyl)carbamimidothioate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N-(3-fluorophenyl)-N'-(phenylsulfonyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-(benzenesulfonyl)-1-(3-fluorophenyl)isothiourea CAS Name: N'-(benzenesulfonyl)-N-(3-fluorophenyl)carbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-(benzenesulfonyl)-N-(3-fluorophenyl)carbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-besyl-1-(3-fluorophenyl)isothiourea Formula: C23H21FN2O4S2 MolecularWeight: 472.552243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NS(=O)(=O)C2=CC=CC=C2)NC3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CS/C(=N/S(=O)(=O)C2=CC=CC=C2)/NC3=CC(=CC=C3)F

InChI

InChI=1S/C23H21FN2O4S2/c1-16(27)17-11-12-22(30-2)18(13-17)15-31-23(25-20-8-6-7-19(24)14-20)26-32(28,29)21-9-4-3-5-10-21/h3-14H,15H2,1-2H3,(H,25,26)