N-[(4-methylphenyl)methylcarbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(4-methylphenyl)methylcarbamothioyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-(p-tolylmethylcarbamothioyl)benzamide CAS Name: N-[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-methylphenyl)methylcarbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-methylbenzyl)thiocarbamoyl]-3-nitro-benzamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-11-5-7-12(8-6-11)10-17-16(23)18-15(20)13-3-2-4-14(9-13)19(21)22/h2-9H,10H2,1H3,(H2,17,18,20,23)