ethyl 2-[3-(5-methylpyrazol-1-yl)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(5-methylpyrazol-1-yl)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(5-methylpyrazol-1-yl)propylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-(5-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(5-methylpyrazol-1-yl)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(5-methylpyrazol-1-yl)propylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H26N4O2S2 MolecularWeight: 406.56534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCCCN3C(=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCCCN3C(=CC=N3)C

InChI

InChI=1S/C19H26N4O2S2/c1-3-25-18(24)16-14-7-4-5-8-15(14)27-17(16)22-19(26)20-10-6-12-23-13(2)9-11-21-23/h9,11H,3-8,10,12H2,1-2H3,(H2,20,22,26)