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

Systemtic Name: 3-methyl-4-nitro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-methyl-4-nitro-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-methyl-4-nitro-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-methyl-4-nitro-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c1-14-12-17(4-7-19(14)25(27)28)20(26)24-21(29)23-18-5-2-15(3-6-18)13-16-8-10-22-11-9-16/h2-12H,13H2,1H3,(H2,23,24,26,29)