methyl N-(4-ethanoylphenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4-ethanoylphenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 1-(4-acetylphenyl)-2-methyl-3-(2-thienylsulfonyl)isothiourea CAS Name: N-(4-acetylphenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-acetylphenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 1-(4-acetylphenyl)-2-methyl-3-(2-thienylsulfonyl)isothiourea Formula: C14H14N2O3S3 MolecularWeight: 354.46756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CS2)SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N/C(=N/S(=O)(=O)C2=CC=CS2)/SC

InChI

InChI=1S/C14H14N2O3S3/c1-10(17)11-5-7-12(8-6-11)15-14(20-2)16-22(18,19)13-4-3-9-21-13/h3-9H,1-2H3,(H,15,16)