N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(2,5-dimethoxyphenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-23-12-6-7-14(24-2)13(9-12)17-16(25)18-15(20)10-4-3-5-11(8-10)19(21)22/h3-9H,1-2H3,(H2,17,18,20,25)