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

Systemtic Name: 2-(1-adamantyl)-N-[[9,10-bis(oxidanylidene)anthracen-2-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(9,10-dioxo-2-anthryl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(9,10-dioxo-2-anthracenyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(9,10-diketo-2-anthryl)thiocarbamoyl]acetamide Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3S/c30-23(14-27-11-15-7-16(12-27)9-17(8-15)13-27)29-26(33)28-18-5-6-21-22(10-18)25(32)20-4-2-1-3-19(20)24(21)31/h1-6,10,15-17H,7-9,11-14H2,(H2,28,29,30,33)