N-ethyl-4-[4-[4-methyl-2,5-bis(oxidanylidene)-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrol-3-yl]butyl]piperazine-1-carbothioamide

Systemtic Name: N-ethyl-4-[4-[4-methyl-2,5-bis(oxidanylidene)-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrol-3-yl]butyl]piperazine-1-carbothioamide Openeye Name: N-ethyl-4-[4-[4-methyl-2,5-dioxo-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrol-3-yl]butyl]piperazine-1-carbothioamide CAS Name: N-ethyl-4-[4-[4-methyl-2,5-dioxo-1-(1-oxo-3H-isobenzofuran-5-yl)-3-pyrrolyl]butyl]-1-piperazinecarbothioamide IUPAC Name: N-ethyl-4-[4-[4-methyl-2,5-dioxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrol-3-yl]butyl]piperazine-1-carbothioamide Traditional Name: 4-[4-[2,5-diketo-1-(1-ketophthalan-5-yl)-4-methyl-3-pyrrolin-3-yl]butyl]-N-ethyl-piperazine-1-carbothioamide Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CCCCC2=C(C(=O)N(C2=O)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CCCCC2=C(C(=O)N(C2=O)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

InChI=1S/C24H30N4O4S/c1-3-25-24(33)27-12-10-26(11-13-27)9-5-4-6-19-16(2)21(29)28(22(19)30)18-7-8-20-17(14-18)15-32-23(20)31/h7-8,14H,3-6,9-13,15H2,1-2H3,(H,25,33)