4-[6-[4-methyl-2,5-bis(oxidanylidene)-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrol-3-yl]hexyl]-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-[6-[4-methyl-2,5-bis(oxidanylidene)-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)pyrrol-3-yl]hexyl]-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-[6-[4-methyl-2,5-dioxo-1-(1-oxo-3H-isobenzofuran-5-yl)pyrrol-3-yl]hexyl]piperazine-1-carbothioamide CAS Name: 4-[6-[4-methyl-2,5-dioxo-1-(1-oxo-3H-isobenzofuran-5-yl)-3-pyrrolyl]hexyl]-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-[6-[4-methyl-2,5-dioxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrol-3-yl]hexyl]-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-[6-[2,5-diketo-1-(1-ketophthalan-5-yl)-4-methyl-3-pyrrolin-3-yl]hexyl]piperazine-1-carbothioamide Formula: C27H34N4O4S MolecularWeight: 510.64826

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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)CCCCCCN4CCN(CC4)C(=S)NCC=C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)OC3)CCCCCCN4CCN(CC4)C(=S)NCC=C

InChI

InChI=1S/C27H34N4O4S/c1-3-11-28-27(36)30-15-13-29(14-16-30)12-7-5-4-6-8-22-19(2)24(32)31(25(22)33)21-9-10-23-20(17-21)18-35-26(23)34/h3,9-10,17H,1,4-8,11-16,18H2,2H3,(H,28,36)