N-(3,4-dimethylphenyl)-2-[(2-nitrophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(2-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(2-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(2-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(2-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C23H20N4O4S/c1-14-11-12-16(13-15(14)2)24-21(28)17-7-3-5-9-19(17)25-23(32)26-22(29)18-8-4-6-10-20(18)27(30)31/h3-13H,1-2H3,(H,24,28)(H2,25,26,29,32)