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

Systemtic Name: ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H28N4O2S2 MolecularWeight: 420.59192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S2/c1-4-26-19(25)17-15-8-5-6-9-16(15)28-18(17)22-20(27)21-10-7-11-24-14(3)12-13(2)23-24/h12H,4-11H2,1-3H3,(H2,21,22,27)