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

Systemtic Name: methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H26N4O2S2 MolecularWeight: 406.56534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

InChI

InChI=1S/C19H26N4O2S2/c1-12-11-13(2)23(22-12)10-6-9-20-19(26)21-17-16(18(24)25-3)14-7-4-5-8-15(14)27-17/h11H,4-10H2,1-3H3,(H2,20,21,26)