N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CSC3=C2CCCC3)N4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CSC3=C2CCCC3)N4C=CC=N4

InChI

InChI=1S/C21H22N4O2S/c1-14(25-11-5-10-22-25)20(26)23-15-6-4-7-16(12-15)24-21(27)18-13-28-19-9-3-2-8-17(18)19/h4-7,10-14H,2-3,8-9H2,1H3,(H,23,26)(H,24,27)