4-[[(2-chloranyl-5-nitro-phenyl)carbamothioyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[(2-chloranyl-5-nitro-phenyl)carbamothioyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[(2-chloro-5-nitro-phenyl)carbamothioyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[(2-chloro-5-nitrophenyl)carbamothioyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[(2-chloro-5-nitro-phenyl)thiocarbamoyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN4O3S/c1-19-16(23)12-5-3-11(4-6-12)10-21(2)17(26)20-15-9-13(22(24)25)7-8-14(15)18/h3-9H,10H2,1-2H3,(H,19,23)(H,20,26)