N-[[9,10-bis(oxidanylidene)anthracen-2-yl]carbamothioyl]-6-chloranyl-pyridine-3-carboxamide

Systemtic Name: N-[[9,10-bis(oxidanylidene)anthracen-2-yl]carbamothioyl]-6-chloranyl-pyridine-3-carboxamide Openeye Name: 6-chloro-N-[(9,10-dioxo-2-anthryl)carbamothioyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[[(9,10-dioxo-2-anthracenyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[(9,10-diketo-2-anthryl)thiocarbamoyl]nicotinamide Formula: C21H12ClN3O3S MolecularWeight: 421.85628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=S)NC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=S)NC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C21H12ClN3O3S/c22-17-8-5-11(10-23-17)20(28)25-21(29)24-12-6-7-15-16(9-12)19(27)14-4-2-1-3-13(14)18(15)26/h1-10H,(H2,24,25,28,29)