[2-(4-methylphenyl)-1-benzothiophen-3-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

Systemtic Name: [2-(4-methylphenyl)-1-benzothiophen-3-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone Openeye Name: [2-(p-tolyl)benzothiophen-3-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone CAS Name: [2-(4-methylphenyl)-1-benzothiophen-3-yl]-[4-(1-pyrrolidinylmethyl)phenyl]methanone IUPAC Name: [2-(4-methylphenyl)-1-benzothiophen-3-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone Traditional Name: [2-(p-tolyl)benzothiophen-3-yl]-[4-(pyrrolidinomethyl)phenyl]methanone Formula: C27H25NOS MolecularWeight: 411.5585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)CN5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)CN5CCCC5

InChI

InChI=1S/C27H25NOS/c1-19-8-12-22(13-9-19)27-25(23-6-2-3-7-24(23)30-27)26(29)21-14-10-20(11-15-21)18-28-16-4-5-17-28/h2-3,6-15H,4-5,16-18H2,1H3