3-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-methyl-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-methyl-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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