ethyl 2-[[(1S)-1-(1-ethyl-4-methyl-pyrazol-3-yl)ethyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(1S)-1-(1-ethyl-4-methyl-pyrazol-3-yl)ethyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(1S)-1-(1-ethyl-4-methyl-pyrazol-3-yl)ethyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(1S)-1-(1-ethyl-4-methyl-3-pyrazolyl)ethyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(1S)-1-(1-ethyl-4-methylpyrazol-3-yl)ethyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(1S)-1-(1-ethyl-4-methyl-pyrazol-3-yl)ethyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C=C(C(=N1)[C@H](C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C22H26N4O2S2/c1-5-26-13-14(3)19(25-26)15(4)23-22(29)24-20-17(21(27)28-6-2)12-18(30-20)16-10-8-7-9-11-16/h7-13,15H,5-6H2,1-4H3,(H2,23,24,29)/t15-/m0/s1