ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCCN3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCCN3C(=CC(=N3)C)C

InChI

InChI=1S/C23H28N4O2S2/c1-4-29-22(28)20-15-19(14-18-9-6-5-7-10-18)31-21(20)25-23(30)24-11-8-12-27-17(3)13-16(2)26-27/h5-7,9-10,13,15H,4,8,11-12,14H2,1-3H3,(H2,24,25,30)