5-[(4-iodanyl-2-methyl-phenyl)amino]-3-oxidanylidene-N'-(1-oxidanylpropan-2-yl)-1,2-thiazole-4-carboximidamide

Systemtic Name: 5-[(4-iodanyl-2-methyl-phenyl)amino]-3-oxidanylidene-N'-(1-oxidanylpropan-2-yl)-1,2-thiazole-4-carboximidamide Openeye Name: N'-(2-hydroxy-1-methyl-ethyl)-5-(4-iodo-2-methyl-anilino)-3-oxo-isothiazole-4-carboxamidine CAS Name: N'-(1-hydroxypropan-2-yl)-5-(4-iodo-2-methylanilino)-3-oxo-4-isothiazolecarboximidamide IUPAC Name: N'-(1-hydroxypropan-2-yl)-5-(4-iodo-2-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide Traditional Name: N'-(2-hydroxy-1-methyl-ethyl)-5-(4-iodo-2-methyl-anilino)-3-keto-4-isothiazoline-4-carboxamidine Formula: C14H17IN4O2S MolecularWeight: 432.27985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C(=O)NS2)C(=NC(C)CO)N

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C(=O)NS2)C(=NC(C)CO)N

InChI

InChI=1S/C14H17IN4O2S/c1-7-5-9(15)3-4-10(7)18-14-11(13(21)19-22-14)12(16)17-8(2)6-20/h3-5,8,18,20H,6H2,1-2H3,(H2,16,17)(H,19,21)