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

Systemtic Name: 3-(azepan-1-yl)-1-(4-ethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(4-ethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(4-ethylphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(4-ethylphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C24H26N2O2S/c1-2-18-12-14-19(15-13-18)26-23(27)21(25-16-8-3-4-9-17-25)22(24(26)28)29-20-10-6-5-7-11-20/h5-7,10-15H,2-4,8-9,16-17H2,1H3