methyl N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-N'-thiophen-2-ylsulfonyl-carbamimidothioate hydrochloride

Systemtic Name: methyl N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-N'-thiophen-2-ylsulfonyl-carbamimidothioate hydrochloride Openeye Name: 2-methyl-1-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]-3-(2-thienylsulfonyl)isothiourea hydrochloride CAS Name: N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester hydrochloride IUPAC Name: methyl N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-N'-thiophen-2-ylsulfonylcarbamimidothioate hydrochloride Traditional Name: 2-methyl-1-(5-nosylthiazol-2-yl)-3-(2-thienylsulfonyl)isothiourea hydrochloride Formula: C15H13ClN4O6S5 MolecularWeight: 541.06492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CS1)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CS1)/NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H12N4O6S5.ClH/c1-26-15(18-30(24,25)12-3-2-8-27-12)17-14-16-9-13(28-14)29(22,23)11-6-4-10(5-7-11)19(20)21;/h2-9H,1H3,(H,16,17,18);1H