N-[(4-methyl-3-nitro-phenyl)carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[(4-methyl-3-nitro-phenyl)carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[(4-methyl-3-nitro-phenyl)carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[(4-methyl-3-nitrophenyl)carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[(4-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-3-4-7-12-27-18-9-6-5-8-16(18)19(24)22-20(28)21-15-11-10-14(2)17(13-15)23(25)26/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H2,21,22,24,28)