N-[(4-nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide

Systemtic Name: N-[(4-nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide Openeye Name: N-[(4-nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide CAS Name: N-[(4-nitroanilino)-sulfanylidenemethyl]-2-phenoxathiinecarboxamide IUPAC Name: N-[(4-nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide Traditional Name: N-[(4-nitrophenyl)thiocarbamoyl]phenoxathiine-2-carboxamide Formula: C20H13N3O4S2 MolecularWeight: 423.46492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(=O)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(=O)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O4S2/c24-19(22-20(28)21-13-6-8-14(9-7-13)23(25)26)12-5-10-16-18(11-12)29-17-4-2-1-3-15(17)27-16/h1-11H,(H2,21,22,24,28)