2-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-14-17(15(2)27(26-14)16-8-4-3-5-9-16)12-13-20(28)25-23-21(22(24)29)18-10-6-7-11-19(18)30-23/h3-5,8-9H,6-7,10-13H2,1-2H3,(H2,24,29)(H,25,28)