2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(1-benzylpyrrolidin-3-yl)benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[1-(phenylmethyl)-3-pyrrolidinyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(1-benzylpyrrolidin-3-yl)benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-(1-benzylpyrrolidin-3-yl)benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC1NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2S/c30-25(27-21-14-15-29(17-21)16-19-8-2-1-3-9-19)22-11-5-4-10-20(22)18-32-26-28-23-12-6-7-13-24(23)31-26/h1-13,21H,14-18H2,(H,27,30)