N-(3-isocyano-5-methoxy-phenyl)-4-methoxy-benzenecarbothioamide

Systemtic Name: N-(3-isocyano-5-methoxy-phenyl)-4-methoxy-benzenecarbothioamide Openeye Name: N-(3-isocyano-5-methoxy-phenyl)-4-methoxy-benzenecarbothioamide CAS Name: N-(3-isocyano-5-methoxyphenyl)-4-methoxybenzenecarbothioamide IUPAC Name: N-(3-isocyano-5-methoxyphenyl)-4-methoxybenzenecarbothioamide Traditional Name: N-(3-isocyano-5-methoxy-phenyl)-4-methoxy-thiobenzamide Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)NC2=CC(=CC(=C2)[N+]#[C-])OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)NC2=CC(=CC(=C2)[N+]#[C-])OC

InChI

InChI=1S/C16H14N2O2S/c1-17-12-8-13(10-15(9-12)20-3)18-16(21)11-4-6-14(19-2)7-5-11/h4-10H,2-3H3,(H,18,21)