N-(3-methoxyphenyl)-4-nitro-benzenecarbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-nitro-benzenecarbothioamide Openeye Name: N-(3-methoxyphenyl)-4-nitro-benzenecarbothioamide CAS Name: N-(3-methoxyphenyl)-4-nitrobenzenecarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-nitrobenzenecarbothioamide Traditional Name: N-(3-methoxyphenyl)-4-nitro-thiobenzamide Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O3S/c1-19-13-4-2-3-11(9-13)15-14(20)10-5-7-12(8-6-10)16(17)18/h2-9H,1H3,(H,15,20)