(3E,6E)-3-[[5-(2-dimethylaminoethylsulfanyl)thiophen-2-yl]methylidene]-6-(phenylmethylidene)piperazine-2,5-dione

Systemtic Name: (3E,6E)-3-[[5-(2-dimethylaminoethylsulfanyl)thiophen-2-yl]methylidene]-6-(phenylmethylidene)piperazine-2,5-dione Openeye Name: (3E,6E)-3-benzylidene-6-[[5-(2-dimethylaminoethylsulfanyl)-2-thienyl]methylene]piperazine-2,5-dione CAS Name: (3E,6E)-3-[[5-(2-dimethylaminoethylthio)-2-thiophenyl]methylidene]-6-(phenylmethylene)piperazine-2,5-dione IUPAC Name: (3E,6E)-3-benzylidene-6-[[5-(2-dimethylaminoethylsulfanyl)thiophen-2-yl]methylidene]piperazine-2,5-dione Traditional Name: (3E,6E)-3-benzal-6-[[5-(2-dimethylaminoethylthio)-2-thienyl]methylene]piperazine-2,5-quinone Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC=C(S1)C=C2C(=O)NC(=CC3=CC=CC=C3)C(=O)N2

Isomeric SMILES

CN(C)CCSC1=CC=C(S1)/C=C/2\C(=O)N/C(=C/C3=CC=CC=C3)/C(=O)N2

InChI

InChI=1S/C20H21N3O2S2/c1-23(2)10-11-26-18-9-8-15(27-18)13-17-20(25)21-16(19(24)22-17)12-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,25)(H,22,24)/b16-12+,17-13+