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

Systemtic Name: 4-[5-[4-methyl-2,5-bis(oxidanylidene)-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrol-3-yl]pentyl]-N-propyl-piperazine-1-carbothioamide Openeye Name: 4-[5-[4-methyl-2,5-dioxo-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrol-3-yl]pentyl]-N-propyl-piperazine-1-carbothioamide CAS Name: 4-[5-[4-methyl-2,5-dioxo-1-(1-oxo-3H-isobenzofuran-5-yl)-3-pyrrolyl]pentyl]-N-propyl-1-piperazinecarbothioamide IUPAC Name: 4-[5-[4-methyl-2,5-dioxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrol-3-yl]pentyl]-N-propylpiperazine-1-carbothioamide Traditional Name: 4-[5-[2,5-diketo-1-(1-ketophthalan-5-yl)-4-methyl-3-pyrrolin-3-yl]pentyl]-N-propyl-piperazine-1-carbothioamide Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4S/c1-3-10-27-26(35)29-14-12-28(13-15-29)11-6-4-5-7-21-18(2)23(31)30(24(21)32)20-8-9-22-19(16-20)17-34-25(22)33/h8-9,16H,3-7,10-15,17H2,1-2H3,(H,27,35)