N-[9,10-bis(oxidanylidene)anthracen-1-yl]-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(9,10-dioxo-1-anthryl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(9,10-diketo-1-anthryl)-4-(p-tolylthio)butyramide Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H21NO3S/c1-16-11-13-17(14-12-16)30-15-5-10-22(27)26-21-9-4-8-20-23(21)25(29)19-7-3-2-6-18(19)24(20)28/h2-4,6-9,11-14H,5,10,15H2,1H3,(H,26,27)