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

Systemtic Name: N-[(2-methoxy-5-methyl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(2-methoxy-5-methyl-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(2-methoxy-5-methylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(2-methoxy-5-methyl-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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