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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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