N-[9,10-bis(oxidanylidene)-5-phenyl-2-sulfanyl-anthracen-1-yl]benzamide

Systemtic Name: N-[9,10-bis(oxidanylidene)-5-phenyl-2-sulfanyl-anthracen-1-yl]benzamide Openeye Name: N-(9,10-dioxo-5-phenyl-2-sulfanyl-1-anthryl)benzamide CAS Name: N-(2-mercapto-9,10-dioxo-5-phenyl-1-anthracenyl)benzamide IUPAC Name: N-(9,10-dioxo-5-phenyl-2-sulfanylanthracen-1-yl)benzamide Traditional Name: N-(9,10-diketo-2-mercapto-5-phenyl-1-anthryl)benzamide Formula: C27H17NO3S MolecularWeight: 435.49378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=CC=C2)C(=O)C4=C(C3=O)C=CC(=C4NC(=O)C5=CC=CC=C5)S

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=CC=C2)C(=O)C4=C(C3=O)C=CC(=C4NC(=O)C5=CC=CC=C5)S

InChI

InChI=1S/C27H17NO3S/c29-25-20-14-15-21(32)24(28-27(31)17-10-5-2-6-11-17)23(20)26(30)19-13-7-12-18(22(19)25)16-8-3-1-4-9-16/h1-15,32H,(H,28,31)