N-[9,10-bis(oxidanylidene)anthracen-2-yl]-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-2-yl]-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(9,10-dioxo-2-anthryl)butanamide CAS Name: N-(9,10-dioxo-2-anthracenyl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(9,10-dioxoanthracen-2-yl)butanamide Traditional Name: 4-(benzylthio)-N-(9,10-diketo-2-anthryl)butyramide Formula: C25H21NO3S MolecularWeight: 415.50414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

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