1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(4-iodo-1-methyl-3-pyrazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-iodo-1-methylpyrazole-3-carbonyl)amino]thiourea Traditional Name: 1-homoveratryl-3-[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]thiourea Formula: C16H20IN5O3S MolecularWeight: 489.33117

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NNC(=S)NCCC2=CC(=C(C=C2)OC)OC)I

InChI

InChI=1S/C16H20IN5O3S/c1-22-9-11(17)14(21-22)15(23)19-20-16(26)18-7-6-10-4-5-12(24-2)13(8-10)25-3/h4-5,8-9H,6-7H2,1-3H3,(H,19,23)(H2,18,20,26)