3-ethyl-1-(4-methylphenyl)-N-[3-(propanoylamino)propyl]thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: 3-ethyl-1-(4-methylphenyl)-N-[3-(propanoylamino)propyl]thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: 3-ethyl-N-[3-(propanoylamino)propyl]-1-(p-tolyl)thieno[2,3-c]pyrazole-5-carboxamide CAS Name: 3-ethyl-1-(4-methylphenyl)-N-[3-(1-oxopropylamino)propyl]-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: 3-ethyl-1-(4-methylphenyl)-N-[3-(propanoylamino)propyl]thieno[2,3-c]pyrazole-5-carboxamide Traditional Name: 3-ethyl-N-(3-propionamidopropyl)-1-(p-tolyl)thieno[2,3-c]pyrazole-5-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=C(S2)C(=O)NCCCNC(=O)CC)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=NN(C2=C1C=C(S2)C(=O)NCCCNC(=O)CC)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N4O2S/c1-4-17-16-13-18(20(27)23-12-6-11-22-19(26)5-2)28-21(16)25(24-17)15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,26)(H,23,27)