1-[3-methyl-1-(1-oxidanylidene-2,3-dihydroinden-5-yl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)hexyl]pyrrole-2,5-dione

Systemtic Name: 1-[3-methyl-1-(1-oxidanylidene-2,3-dihydroinden-5-yl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)hexyl]pyrrole-2,5-dione Openeye Name: 1-[3-methyl-1-(1-oxoindan-5-yl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]hexyl]pyrrole-2,5-dione CAS Name: 1-[3-methyl-1-(1-oxo-2,3-dihydroinden-5-yl)-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]hexyl]pyrrole-2,5-dione IUPAC Name: 1-[3-methyl-1-(1-oxo-2,3-dihydroinden-5-yl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]hexyl]pyrrole-2,5-dione Traditional Name: 1-[1-(1-ketoindan-5-yl)-3-methyl-4-[4-(2-thenoyl)piperazino]hexyl]-3-pyrroline-2,5-quinone Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC(C1=CC2=C(C=C1)C(=O)CC2)N3C(=O)C=CC3=O)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CCC(C(C)CC(C1=CC2=C(C=C1)C(=O)CC2)N3C(=O)C=CC3=O)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H33N3O4S/c1-3-23(30-12-14-31(15-13-30)29(36)26-5-4-16-37-26)19(2)17-24(32-27(34)10-11-28(32)35)21-6-8-22-20(18-21)7-9-25(22)33/h4-6,8,10-11,16,18-19,23-24H,3,7,9,12-15,17H2,1-2H3