1-(4-butylphenyl)-3-morpholin-4-yl-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-morpholin-4-yl-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-morpholino-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(4-morpholinyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-morpholin-4-yl-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-morpholino-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C24H26N2O3S MolecularWeight: 422.53984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C24H26N2O3S/c1-2-3-7-18-10-12-19(13-11-18)26-23(27)21(25-14-16-29-17-15-25)22(24(26)28)30-20-8-5-4-6-9-20/h4-6,8-13H,2-3,7,14-17H2,1H3