4-methoxy-3-nitro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c1-29-19-7-4-16(13-18(19)25(27)28)20(26)24-21(30)23-17-5-2-14(3-6-17)12-15-8-10-22-11-9-15/h2-11,13H,12H2,1H3,(H2,23,24,26,30)