methyl N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-C-methylsulfanyl-N-(2-thienylsulfonyl)carbonimidoyl]acetamide CAS Name: N-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(Z)-C-(methylthio)-N-(2-thienylsulfonyl)carbonimidoyl]acetamide Formula: C15H13N3O3S5 MolecularWeight: 443.60702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CS1)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CS1)/NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H13N3O3S5/c1-22-14(18-26(20,21)13-7-4-8-23-13)17-12(19)9-24-15-16-10-5-2-3-6-11(10)25-15/h2-8H,9H2,1H3,(H,17,18,19)