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

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(9,10-dioxo-2-anthryl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-(9,10-dioxo-2-anthracenyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(9,10-dioxoanthracen-2-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(9,10-diketo-2-anthryl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]propionamide Formula: C27H23N3O4S MolecularWeight: 485.55422

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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=NC5=CC=CC=C5N4CCOC

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)SC4=NC5=CC=CC=C5N4CCOC

InChI

InChI=1S/C27H23N3O4S/c1-16(35-27-29-22-9-5-6-10-23(22)30(27)13-14-34-2)26(33)28-17-11-12-20-21(15-17)25(32)19-8-4-3-7-18(19)24(20)31/h3-12,15-16H,13-14H2,1-2H3,(H,28,33)