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

Systemtic Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: 4-methyl-3-nitro-N-[(4-sec-butylphenyl)carbamothioyl]benzamide CAS Name: N-[(4-butan-2-ylanilino)-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: 4-methyl-3-nitro-N-[(4-sec-butylphenyl)thiocarbamoyl]benzamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-4-12(2)14-7-9-16(10-8-14)20-19(26)21-18(23)15-6-5-13(3)17(11-15)22(24)25/h5-12H,4H2,1-3H3,(H2,20,21,23,26)