N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2,5-dimethylpyrrol-1-yl)-5-phenylazanyl-1H-pyrazole-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2,5-dimethylpyrrol-1-yl)-5-phenylazanyl-1H-pyrazole-4-carboxamide Openeye Name: 5-anilino-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2,5-dimethylpyrrol-1-yl)-1H-pyrazole-4-carboxamide CAS Name: 5-anilino-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2,5-dimethyl-1-pyrrolyl)-1H-pyrazole-4-carboxamide IUPAC Name: 5-anilino-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2,5-dimethylpyrrol-1-yl)-1H-pyrazole-4-carboxamide Traditional Name: 5-anilino-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2,5-dimethylpyrrol-1-yl)-1H-pyrazole-4-carboxamide Formula: C25H26N6O2S MolecularWeight: 474.57794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NNC(=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)NC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(N1C2=NNC(=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)NC5=CC=CC=C5)C

InChI

InChI=1S/C25H26N6O2S/c1-14-12-13-15(2)31(14)23-20(22(29-30-23)27-16-8-4-3-5-9-16)24(33)28-25-19(21(26)32)17-10-6-7-11-18(17)34-25/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H2,26,32)(H,28,33)(H2,27,29,30)