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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O4S/c1-3-4-5-13-27-16-11-9-15(10-12-16)19(24)22-20(28)21-17-7-6-8-18(14(17)2)23(25)26/h6-12H,3-5,13H2,1-2H3,(H2,21,22,24,28)