methyl N'-[[6-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]pyridin-2-yl]methyl]-N-methylsulfonyl-carbamimidothioate

Systemtic Name: methyl N'-[[6-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]pyridin-2-yl]methyl]-N-methylsulfonyl-carbamimidothioate Openeye Name: 3-[[6-(2-guanidinothiazol-4-yl)-2-pyridyl]methyl]-2-methyl-1-methylsulfonyl-isothiourea CAS Name: N'-[[6-[2-(diaminomethylideneamino)-4-thiazolyl]-2-pyridinyl]methyl]-N-methylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridin-2-yl]methyl]-N-methylsulfonylcarbamimidothioate Traditional Name: 3-[[6-(2-guanidinothiazol-4-yl)-2-pyridyl]methyl]-1-mesyl-2-methyl-isothiourea Formula: C13H17N7O2S3 MolecularWeight: 399.51478

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=CC(=N1)C2=CSC(=N2)N=C(N)N)NS(=O)(=O)C

Isomeric SMILES

CSC(=NCC1=CC=CC(=N1)C2=CSC(=N2)N=C(N)N)NS(=O)(=O)C

InChI

InChI=1S/C13H17N7O2S3/c1-23-12(20-25(2,21)22)16-6-8-4-3-5-9(17-8)10-7-24-13(18-10)19-11(14)15/h3-5,7H,6H2,1-2H3,(H,16,20)(H4,14,15,18,19)