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

Systemtic Name: N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[[3-[dimethylamino(oxo)methyl]phenyl]methyl]-2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[3-(dimethylcarbamoyl)benzyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)CNC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)CNC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-25(2)22(28)17-9-7-8-16(14-17)15-24-21(27)20-18-10-3-4-11-19(18)29-23(20)26-12-5-6-13-26/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,24,27)