N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: 4-ethoxy-3-nitro-N-[(4-sec-butylphenyl)carbamothioyl]benzamide CAS Name: N-[(4-butan-2-ylanilino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: 4-ethoxy-3-nitro-N-[(4-sec-butylphenyl)thiocarbamoyl]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

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