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

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(9,10-dioxo-1-anthryl)butanamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(9,10-dioxoanthracen-1-yl)butanamide Traditional Name: 4-(benzylthio)-N-(9,10-diketo-1-anthryl)butyramide Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO3S/c27-22(14-7-15-30-16-17-8-2-1-3-9-17)26-21-13-6-12-20-23(21)25(29)19-11-5-4-10-18(19)24(20)28/h1-6,8-13H,7,14-16H2,(H,26,27)