N-[(3-methoxyphenyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(3-methoxyphenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(3-methoxyphenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[(3-methoxyanilino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(3-methoxyphenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(3-methoxyphenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c1-22-13-4-2-3-11(9-13)16-15(23)17-14(19)10-5-7-12(8-6-10)18(20)21/h2-9H,1H3,(H2,16,17,19,23)