4-methoxy-N-[(2-methylphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[(2-methylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-3-nitro-N-(o-tolylcarbamothioyl)benzamide CAS Name: 4-methoxy-N-[(2-methylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(2-methylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-3-nitro-N-(o-tolylthiocarbamoyl)benzamide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c1-10-5-3-4-6-12(10)17-16(24)18-15(20)11-7-8-14(23-2)13(9-11)19(21)22/h3-9H,1-2H3,(H2,17,18,20,24)