(4Z)-4-[oxidanyl-(4-propan-2-yloxyphenyl)methylidene]-1-(2-piperazin-1-ylethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (4Z)-4-[oxidanyl-(4-propan-2-yloxyphenyl)methylidene]-1-(2-piperazin-1-ylethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4Z)-4-[hydroxy-(4-isopropoxyphenyl)methylene]-1-(2-piperazin-1-ylethyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4Z)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-[2-(1-piperazinyl)ethyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4Z)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(2-piperazin-1-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4Z)-4-[hydroxy-(4-isopropoxyphenyl)methylene]-1-(2-piperazinoethyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCNCC3)C4=CC=CS4)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCNCC3)C4=CC=CS4)/O

InChI

InChI=1S/C24H29N3O4S/c1-16(2)31-18-7-5-17(6-8-18)22(28)20-21(19-4-3-15-32-19)27(24(30)23(20)29)14-13-26-11-9-25-10-12-26/h3-8,15-16,21,25,28H,9-14H2,1-2H3/b22-20-