3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,5-dione Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(1-piperidyl)phenyl]pyrrolidine-2,5-dione CAS Name: 3-(1,3-benzoxazol-2-ylthio)-1-[4-(1-piperidinyl)phenyl]pyrrolidine-2,5-dione IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,5-dione Traditional Name: 3-(1,3-benzoxazol-2-ylthio)-1-(4-piperidinophenyl)pyrrolidine-2,5-quinone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H21N3O3S/c26-20-14-19(29-22-23-17-6-2-3-7-18(17)28-22)21(27)25(20)16-10-8-15(9-11-16)24-12-4-1-5-13-24/h2-3,6-11,19H,1,4-5,12-14H2