N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]phenoxathiine-2-carboxamide

Systemtic Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]phenoxathiine-2-carboxamide Openeye Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]phenoxathiine-2-carboxamide CAS Name: N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-2-phenoxathiinecarboxamide IUPAC Name: N-[(4-methoxy-2-nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide Traditional Name: N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]phenoxathiine-2-carboxamide Formula: C21H15N3O5S2 MolecularWeight: 453.4909

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5S2/c1-28-13-7-8-14(15(11-13)24(26)27)22-21(30)23-20(25)12-6-9-17-19(10-12)31-18-5-3-2-4-16(18)29-17/h2-11H,1H3,(H2,22,23,25,30)