2-[4-[4-(phenylmethyl)piperidin-1-yl]carbothioylphenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(phenylmethyl)piperidin-1-yl]carbothioylphenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-benzylpiperidine-1-carbothioyl)phenoxy]-1-pyrrolidino-ethanone Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=CC=C(C=C2)C(=S)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)COC2=CC=C(C=C2)C(=S)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O2S/c28-24(26-14-4-5-15-26)19-29-23-10-8-22(9-11-23)25(30)27-16-12-21(13-17-27)18-20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2