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

Systemtic Name: N-[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-9,10-dioxo-2-anthryl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-9,10-dioxo-2-anthracenyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-9,10-diketo-2-anthryl)-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C29H18ClN3O3S MolecularWeight: 523.98952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C5C(=C4)C(=O)C6=CC=CC=C6C5=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C5C(=C4)C(=O)C6=CC=CC=C6C5=O)Cl

InChI

InChI=1S/C29H18ClN3O3S/c30-22-14-20-21(28(36)19-11-5-4-10-18(19)27(20)35)15-24(22)31-26(34)16-37-29-32-23-12-6-7-13-25(23)33(29)17-8-2-1-3-9-17/h1-15H,16H2,(H,31,34)