2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C

InChI

InChI=1S/C21H22N4O2S/c1-12-11-13(2)25(24-12)15-9-7-14(8-10-15)20(27)23-21-18(19(22)26)16-5-3-4-6-17(16)28-21/h7-11H,3-6H2,1-2H3,(H2,22,26)(H,23,27)