ethyl 6-ethyl-2-[(4-iodanyl-2-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-ethyl-2-[(4-iodanyl-2-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[(4-iodo-2-methyl-pyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[[[(4-iodo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[(4-iodo-2-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[(4-iodo-2-methyl-pyrazole-3-carbonyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H23IN4O3S2 MolecularWeight: 546.44539

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=C(C=NN3C)I

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=C(C=NN3C)I

InChI

InChI=1S/C19H23IN4O3S2/c1-4-10-6-7-11-13(8-10)29-17(14(11)18(26)27-5-2)23-19(28)22-16(25)15-12(20)9-21-24(15)3/h9-10H,4-8H2,1-3H3,(H2,22,23,25,28)