N-[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-9,10-dioxo-2-anthryl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-9,10-dioxo-2-anthracenyl)-2-[(1-hexyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-9,10-diketo-2-anthryl)-2-[(1-hexylbenzimidazol-2-yl)thio]acetamide Formula: C29H26ClN3O3S MolecularWeight: 532.05304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C4C(=C3)C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C4C(=C3)C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C29H26ClN3O3S/c1-2-3-4-9-14-33-25-13-8-7-12-23(25)32-29(33)37-17-26(34)31-24-16-21-20(15-22(24)30)27(35)18-10-5-6-11-19(18)28(21)36/h5-8,10-13,15-16H,2-4,9,14,17H2,1H3,(H,31,34)