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

Systemtic Name: 4-[4-[4-methyl-2,5-bis(oxidanylidene)-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrol-3-yl]butyl]-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-[4-[4-methyl-2,5-dioxo-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrol-3-yl]butyl]piperazine-1-carbothioamide CAS Name: 4-[4-[4-methyl-2,5-dioxo-1-(1-oxo-3H-isobenzofuran-5-yl)-3-pyrrolyl]butyl]-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-[4-[4-methyl-2,5-dioxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrol-3-yl]butyl]-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-[4-[2,5-diketo-1-(1-ketophthalan-5-yl)-4-methyl-3-pyrrolin-3-yl]butyl]piperazine-1-carbothioamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)OC3)CCCCN4CCN(CC4)C(=S)NCC=C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)OC3)CCCCN4CCN(CC4)C(=S)NCC=C

InChI

InChI=1S/C25H30N4O4S/c1-3-9-26-25(34)28-13-11-27(12-14-28)10-5-4-6-20-17(2)22(30)29(23(20)31)19-7-8-21-18(15-19)16-33-24(21)32/h3,7-8,15H,1,4-6,9-14,16H2,2H3,(H,26,34)