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

Systemtic Name: 3-(azepan-1-yl)-4-phenylsulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(4-isopropylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-(phenylthio)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-phenylsulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-p-cumenyl-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2S/c1-18(2)19-12-14-20(15-13-19)27-24(28)22(26-16-8-3-4-9-17-26)23(25(27)29)30-21-10-6-5-7-11-21/h5-7,10-15,18H,3-4,8-9,16-17H2,1-2H3