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

Systemtic Name: N-ethyl-4-[5-[4-methyl-2,5-bis(oxidanylidene)-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrol-3-yl]pentyl]piperazine-1-carbothioamide Openeye Name: N-ethyl-4-[5-[4-methyl-2,5-dioxo-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrol-3-yl]pentyl]piperazine-1-carbothioamide CAS Name: N-ethyl-4-[5-[4-methyl-2,5-dioxo-1-(1-oxo-3H-isobenzofuran-5-yl)-3-pyrrolyl]pentyl]-1-piperazinecarbothioamide IUPAC Name: N-ethyl-4-[5-[4-methyl-2,5-dioxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrol-3-yl]pentyl]piperazine-1-carbothioamide Traditional Name: 4-[5-[2,5-diketo-1-(1-ketophthalan-5-yl)-4-methyl-3-pyrrolin-3-yl]pentyl]-N-ethyl-piperazine-1-carbothioamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CCCCCC2=C(C(=O)N(C2=O)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CCCCCC2=C(C(=O)N(C2=O)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

InChI=1S/C25H32N4O4S/c1-3-26-25(34)28-13-11-27(12-14-28)10-6-4-5-7-20-17(2)22(30)29(23(20)31)19-8-9-21-18(15-19)16-33-24(21)32/h8-9,15H,3-7,10-14,16H2,1-2H3,(H,26,34)