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

Systemtic Name: methyl N'-[9,10-bis(oxidanylidene)anthracen-1-yl]-N-phenyl-carbamimidothioate Openeye Name: 3-(9,10-dioxo-1-anthryl)-2-methyl-1-phenyl-isothiourea CAS Name: N'-(9,10-dioxo-1-anthracenyl)-N-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(9,10-dioxoanthracen-1-yl)-N-phenylcarbamimidothioate Traditional Name: 3-(9,10-diketo-1-anthryl)-2-methyl-1-phenyl-isothiourea Formula: C22H16N2O2S MolecularWeight: 372.43964

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4

Isomeric SMILES

CSC(=NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H16N2O2S/c1-27-22(23-14-8-3-2-4-9-14)24-18-13-7-12-17-19(18)21(26)16-11-6-5-10-15(16)20(17)25/h2-13H,1H3,(H,23,24)