2-(2,5-dimethylpyrrol-1-yl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H22N2OS MolecularWeight: 350.47718

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2OS/c1-14-12-13-15(2)23(14)21-19(17-10-6-7-11-18(17)25-21)20(24)22-16-8-4-3-5-9-16/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,22,24)