3-(azepan-1-yl)-1-(4-phenoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-1-(4-phenoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(4-phenoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(4-phenoxyphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(4-phenoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(4-phenoxyphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C28H26N2O3S MolecularWeight: 470.58264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C28H26N2O3S/c31-27-25(29-19-9-1-2-10-20-29)26(34-24-13-7-4-8-14-24)28(32)30(27)21-15-17-23(18-16-21)33-22-11-5-3-6-12-22/h3-8,11-18H,1-2,9-10,19-20H2