N-[[9,10-bis(oxidanylidene)anthracen-2-yl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[9,10-bis(oxidanylidene)anthracen-2-yl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(9,10-dioxo-2-anthryl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[(9,10-dioxo-2-anthracenyl)amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(9,10-diketo-2-anthryl)thiocarbamoyl]adamantane-1-carboxamide Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C26H24N2O3S/c29-22-18-3-1-2-4-19(18)23(30)21-10-17(5-6-20(21)22)27-25(32)28-24(31)26-11-14-7-15(12-26)9-16(8-14)13-26/h1-6,10,14-16H,7-9,11-13H2,(H2,27,28,31,32)