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

Systemtic Name: propyl 2-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(4-chloro-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C20H25ClN4O3S2 MolecularWeight: 469.0205

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=C(C(=NN3C)C)Cl

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=C(C(=NN3C)C)Cl

InChI

InChI=1S/C20H25ClN4O3S2/c1-5-8-28-19(27)14-12-7-6-10(2)9-13(12)30-18(14)23-20(29)22-17(26)16-15(21)11(3)24-25(16)4/h10H,5-9H2,1-4H3,(H2,22,23,26,29)