N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide Openeye Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(9,10-dioxo-2-anthryl)propanamide CAS Name: 2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-N-(9,10-dioxo-2-anthracenyl)propanamide IUPAC Name: 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(9,10-dioxoanthracen-2-yl)propanamide Traditional Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(9,10-diketo-2-anthryl)propionamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SC(C)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SC(C)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)C)C

InChI

InChI=1S/C26H27N3O3S/c1-5-6-13-29-16(3)15(2)27-26(29)33-17(4)25(32)28-18-11-12-21-22(14-18)24(31)20-10-8-7-9-19(20)23(21)30/h7-12,14,17H,5-6,13H2,1-4H3,(H,28,32)