3-(4-tert-butylphenyl)sulfanyl-1-piperidin-1-yl-anthracene-9,10-dione

Systemtic Name: 3-(4-tert-butylphenyl)sulfanyl-1-piperidin-1-yl-anthracene-9,10-dione Openeye Name: 3-(4-tert-butylphenyl)sulfanyl-1-(1-piperidyl)anthracene-9,10-dione CAS Name: 3-[(4-tert-butylphenyl)thio]-1-(1-piperidinyl)anthracene-9,10-dione IUPAC Name: 3-(4-tert-butylphenyl)sulfanyl-1-piperidin-1-ylanthracene-9,10-dione Traditional Name: 3-[(4-tert-butylphenyl)thio]-1-piperidino-9,10-anthraquinone Formula: C29H29NO2S MolecularWeight: 455.61106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=CC(=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)N5CCCCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC(=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)N5CCCCC5

InChI

InChI=1S/C29H29NO2S/c1-29(2,3)19-11-13-20(14-12-19)33-21-17-24-26(25(18-21)30-15-7-4-8-16-30)28(32)23-10-6-5-9-22(23)27(24)31/h5-6,9-14,17-18H,4,7-8,15-16H2,1-3H3