1-[[4-[(4-sulfanylphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[4-[(4-sulfanylphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-[(4-sulfanylphenyl)methyl]piperazin-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-[(4-mercaptophenyl)methyl]-1-piperazinyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-[(4-sulfanylphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-(4-mercaptobenzyl)piperazino]methyl]isatin Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)S)CN3C4=CC=CC=C4C(=O)C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)S)CN3C4=CC=CC=C4C(=O)C3=O

InChI

InChI=1S/C20H21N3O2S/c24-19-17-3-1-2-4-18(17)23(20(19)25)14-22-11-9-21(10-12-22)13-15-5-7-16(26)8-6-15/h1-8,26H,9-14H2