1-(2,2-dimethoxyethyl)-3-(3-iodanyl-5-methylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(2,2-dimethoxyethyl)-3-(3-iodanyl-5-methylsulfonyl-phenyl)thiourea Openeye Name: 1-(2,2-dimethoxyethyl)-3-(3-iodo-5-methylsulfonyl-phenyl)thiourea CAS Name: 1-(2,2-dimethoxyethyl)-3-(3-iodo-5-methylsulfonylphenyl)thiourea IUPAC Name: 1-(2,2-dimethoxyethyl)-3-(3-iodo-5-methylsulfonylphenyl)thiourea Traditional Name: 1-(2,2-dimethoxyethyl)-3-(3-iodo-5-mesyl-phenyl)thiourea Formula: C12H17IN2O4S2 MolecularWeight: 444.30885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=S)NC1=CC(=CC(=C1)I)S(=O)(=O)C)OC

Isomeric SMILES

COC(CNC(=S)NC1=CC(=CC(=C1)I)S(=O)(=O)C)OC

InChI

InChI=1S/C12H17IN2O4S2/c1-18-11(19-2)7-14-12(20)15-9-4-8(13)5-10(6-9)21(3,16)17/h4-6,11H,7H2,1-3H3,(H2,14,15,20)