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

Systemtic Name: 2-methyl-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 2-methyl-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 2-methyl-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-methyl-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N3O3S/c1-10-5-3-4-6-13(10)15(20)18-16(23)17-14-8-7-12(19(21)22)9-11(14)2/h3-9H,1-2H3,(H2,17,18,20,23)