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

Systemtic Name: N-[2-(phenylmethyl)phenyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-benzylphenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[2-(phenylmethyl)phenyl]-2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-benzylphenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-benzylphenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H24N2OS MolecularWeight: 412.54656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)NC4=CC=CC=C4CC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)NC4=CC=CC=C4CC5=CC=CC=C5

InChI

InChI=1S/C26H24N2OS/c29-25(27-22-14-6-4-12-20(22)18-19-10-2-1-3-11-19)24-21-13-5-7-15-23(21)30-26(24)28-16-8-9-17-28/h1-4,6,8-12,14,16-17H,5,7,13,15,18H2,(H,27,29)