1-(4-butylphenyl)-3-(cyclohexylamino)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-(cyclohexylamino)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(cyclohexylamino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(cyclohexylamino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(cyclohexylamino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(cyclohexylamino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4CCCCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4CCCCC4

InChI

InChI=1S/C26H30N2O2S/c1-2-3-10-19-15-17-21(18-16-19)28-25(29)23(27-20-11-6-4-7-12-20)24(26(28)30)31-22-13-8-5-9-14-22/h5,8-9,13-18,20,27H,2-4,6-7,10-12H2,1H3