N-[[(4aS,9aS)-9,10-bis(oxidanylidene)-4a,9a-dihydroanthracen-2-yl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[(4aS,9aS)-9,10-bis(oxidanylidene)-4a,9a-dihydroanthracen-2-yl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[(4aS,9aS)-9,10-dioxo-4a,9a-dihydroanthracen-2-yl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[[(4aS,9aS)-9,10-dioxo-4a,9a-dihydroanthracen-2-yl]amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[(4aS,9aS)-9,10-dioxo-4a,9a-dihydroanthracen-2-yl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[(4aS,9aS)-9,10-diketo-4a,9a-dihydroanthracen-2-yl]thiocarbamoyl]nicotinamide Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3C=CC(=CC3C2=O)NC(=S)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)[C@H]3C=CC(=C[C@@H]3C2=O)NC(=S)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H15N3O3S/c25-18-14-5-1-2-6-15(14)19(26)17-10-13(7-8-16(17)18)23-21(28)24-20(27)12-4-3-9-22-11-12/h1-11,16-17H,(H2,23,24,27,28)/t16-,17-/m0/s1