N-[(3-benzamidophenyl)carbamothioyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[(3-benzamidophenyl)carbamothioyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(3-benzamidophenyl)carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: N-[(3-benzamidoanilino)-sulfanylidenemethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(3-benzamidophenyl)carbamothioyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(3-benzamidophenyl)thiocarbamoyl]-3-methyl-4-nitro-benzamide Formula: C22H18N4O4S MolecularWeight: 434.46772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-14-12-16(10-11-19(14)26(29)30)21(28)25-22(31)24-18-9-5-8-17(13-18)23-20(27)15-6-3-2-4-7-15/h2-13H,1H3,(H,23,27)(H2,24,25,28,31)