methyl N'-[9,10-bis(oxidanylidene)anthracen-1-yl]-N-phenylsulfanyl-carbamimidate

Systemtic Name: methyl N'-[9,10-bis(oxidanylidene)anthracen-1-yl]-N-phenylsulfanyl-carbamimidate Openeye Name: 3-(9,10-dioxo-1-anthryl)-2-methyl-1-phenylsulfanyl-isourea CAS Name: N'-(9,10-dioxo-1-anthracenyl)-N-(phenylthio)carbamimidic acid methyl ester IUPAC Name: methyl N'-(9,10-dioxoanthracen-1-yl)-N-phenylsulfanylcarbamimidate Traditional Name: 3-(9,10-diketo-1-anthryl)-2-methyl-1-(phenylthio)isourea Formula: C22H16N2O3S MolecularWeight: 388.43904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)NSC4=CC=CC=C4

Isomeric SMILES

COC(=NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)NSC4=CC=CC=C4

InChI

InChI=1S/C22H16N2O3S/c1-27-22(24-28-14-8-3-2-4-9-14)23-18-13-7-12-17-19(18)21(26)16-11-6-5-10-15(16)20(17)25/h2-13H,1H3,(H,23,24)