N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-[4-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-[4-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(9,10-dioxo-1-anthryl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(9,10-diketo-1-anthryl)-2-[[4-[(2-phenylacetyl)amino]phenyl]thio]propionamide Formula: C31H24N2O4S MolecularWeight: 520.59826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)SC4=CC=C(C=C4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)SC4=CC=C(C=C4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H24N2O4S/c1-19(38-22-16-14-21(15-17-22)32-27(34)18-20-8-3-2-4-9-20)31(37)33-26-13-7-12-25-28(26)30(36)24-11-6-5-10-23(24)29(25)35/h2-17,19H,18H2,1H3,(H,32,34)(H,33,37)