3-methyl-1-(1-oxidanylidene-2,3-dihydroinden-5-yl)-4-[6-(4-thiophen-2-ylcarbonylpiperazin-1-yl)hexyl]pyrrole-2,5-dione

Systemtic Name: 3-methyl-1-(1-oxidanylidene-2,3-dihydroinden-5-yl)-4-[6-(4-thiophen-2-ylcarbonylpiperazin-1-yl)hexyl]pyrrole-2,5-dione Openeye Name: 3-methyl-1-(1-oxoindan-5-yl)-4-[6-[4-(thiophene-2-carbonyl)piperazin-1-yl]hexyl]pyrrole-2,5-dione CAS Name: 3-methyl-1-(1-oxo-2,3-dihydroinden-5-yl)-4-[6-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]hexyl]pyrrole-2,5-dione IUPAC Name: 3-methyl-1-(1-oxo-2,3-dihydroinden-5-yl)-4-[6-[4-(thiophene-2-carbonyl)piperazin-1-yl]hexyl]pyrrole-2,5-dione Traditional Name: 1-(1-ketoindan-5-yl)-3-methyl-4-[6-[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:

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)CC3)CCCCCCN4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC3=C(C=C2)C(=O)CC3)CCCCCCN4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H33N3O4S/c1-20-23(28(35)32(27(20)34)22-10-11-24-21(19-22)9-12-25(24)33)7-4-2-3-5-13-30-14-16-31(17-15-30)29(36)26-8-6-18-37-26/h6,8,10-11,18-19H,2-5,7,9,12-17H2,1H3