(4-butylcyclohexyl) 1-azanyl-4-(4-methylphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-butylcyclohexyl) 1-azanyl-4-(4-methylphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (4-butylcyclohexyl) 1-amino-9,10-dioxo-4-(p-tolylsulfanyl)anthracene-2-carboxylate CAS Name: 1-amino-4-[(4-methylphenyl)thio]-9,10-dioxo-2-anthracenecarboxylic acid (4-butylcyclohexyl) ester IUPAC Name: (4-butylcyclohexyl) 1-amino-4-(4-methylphenyl)sulfanyl-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-4-(p-tolylthio)anthracene-2-carboxylic acid (4-butylcyclohexyl) ester Formula: C32H33NO4S MolecularWeight: 527.67372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)SC5=CC=C(C=C5)C

Isomeric SMILES

CCCCC1CCC(CC1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)SC5=CC=C(C=C5)C

InChI

InChI=1S/C32H33NO4S/c1-3-4-7-20-12-14-21(15-13-20)37-32(36)25-18-26(38-22-16-10-19(2)11-17-22)27-28(29(25)33)31(35)24-9-6-5-8-23(24)30(27)34/h5-6,8-11,16-18,20-21H,3-4,7,12-15,33H2,1-2H3