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

Systemtic Name: 2-[4-[4-(phenylmethyl)piperazin-1-yl]carbothioylphenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-benzylpiperazine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-benzylpiperazine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-benzylpiperazine-1-carbothioyl)phenoxy]-1-pyrrolidino-ethanone Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=CC=C(C=C2)C(=S)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)COC2=CC=C(C=C2)C(=S)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2S/c28-23(26-12-4-5-13-26)19-29-22-10-8-21(9-11-22)24(30)27-16-14-25(15-17-27)18-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-19H2