2-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[3-(hydroxymethyl)-2,5-dimethyl-1-pyrrolyl]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(hydroxymethyl)-2,5-dimethylpyrrol-1-yl]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(2,5-dimethyl-3-methylol-pyrrol-1-yl)-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)C)CO

Isomeric SMILES

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)C)CO

InChI

InChI=1S/C22H24N2O2S/c1-14-12-16(13-25)15(2)24(14)22-20(18-10-6-7-11-19(18)27-22)21(26)23-17-8-4-3-5-9-17/h3-5,8-9,12,25H,6-7,10-11,13H2,1-2H3,(H,23,26)