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

Systemtic Name: 3-(azepan-1-yl)-1-phenyl-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-phenyl-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-phenyl-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-phenyl-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-phenyl-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2S/c25-21-19(23-15-9-1-2-10-16-23)20(27-18-13-7-4-8-14-18)22(26)24(21)17-11-5-3-6-12-17/h3-8,11-14H,1-2,9-10,15-16H2