2-prop-2-enyl-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-prop-2-enyl-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-allyl-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-2-prop-2-enylisoindole-1,3-dione IUPAC Name: 2-prop-2-enyl-5-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-allyl-5-[4-(2-thenoyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H19N3O4S/c1-2-7-24-19(26)15-6-5-14(13-16(15)20(24)27)18(25)22-8-10-23(11-9-22)21(28)17-4-3-12-29-17/h2-6,12-13H,1,7-11H2