3-[cyclohexyl(methyl)amino]-1-(4-ethoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-[cyclohexyl(methyl)amino]-1-(4-ethoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-[cyclohexyl(methyl)amino]-1-(4-ethoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-[cyclohexyl(methyl)amino]-1-(4-ethoxyphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-[cyclohexyl(methyl)amino]-1-(4-ethoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-[cyclohexyl(methyl)amino]-4-(phenylthio)-1-p-phenetyl-3-pyrroline-2,5-quinone Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N(C)C4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N(C)C4CCCCC4

InChI

InChI=1S/C25H28N2O3S/c1-3-30-20-16-14-19(15-17-20)27-24(28)22(26(2)18-10-6-4-7-11-18)23(25(27)29)31-21-12-8-5-9-13-21/h5,8-9,12-18H,3-4,6-7,10-11H2,1-2H3