N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[(3,4-dimethoxyanilino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(3,4-dimethoxyphenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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