1-(cyclohexylamino)-4-(4-methylphenyl)sulfanyl-anthracene-9,10-dione

Systemtic Name: 1-(cyclohexylamino)-4-(4-methylphenyl)sulfanyl-anthracene-9,10-dione Openeye Name: 1-(cyclohexylamino)-4-(p-tolylsulfanyl)anthracene-9,10-dione CAS Name: 1-(cyclohexylamino)-4-[(4-methylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1-(cyclohexylamino)-4-(4-methylphenyl)sulfanylanthracene-9,10-dione Traditional Name: 1-(cyclohexylamino)-4-(p-tolylthio)-9,10-anthraquinone Formula: C27H25NO2S MolecularWeight: 427.5579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C(=C(C=C2)NC4CCCCC4)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C(=C(C=C2)NC4CCCCC4)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C27H25NO2S/c1-17-11-13-19(14-12-17)31-23-16-15-22(28-18-7-3-2-4-8-18)24-25(23)27(30)21-10-6-5-9-20(21)26(24)29/h5-6,9-16,18,28H,2-4,7-8H2,1H3