N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(9,10-dioxo-1-anthryl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(9,10-diketo-1-anthryl)-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C29H19N3O3S MolecularWeight: 489.54446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C29H19N3O3S/c33-25(17-36-29-31-22-14-6-7-16-24(22)32(29)18-9-2-1-3-10-18)30-23-15-8-13-21-26(23)28(35)20-12-5-4-11-19(20)27(21)34/h1-16H,17H2,(H,30,33)