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

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(9,10-dioxo-2-anthryl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(9,10-dioxo-2-anthracenyl)-2-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(9,10-dioxoanthracen-2-yl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(9,10-diketo-2-anthryl)-2-[(1-methylimidazol-2-yl)thio]propionamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)SC4=NC=CN4C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)SC4=NC=CN4C

InChI

InChI=1S/C21H17N3O3S/c1-12(28-21-22-9-10-24(21)2)20(27)23-13-7-8-16-17(11-13)19(26)15-6-4-3-5-14(15)18(16)25/h3-12H,1-2H3,(H,23,27)