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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(3-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(3-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/c1-14-10-11-17(12-15(14)2)24-22(29)19-8-3-4-9-20(19)25-23(32)26-21(28)16-6-5-7-18(13-16)27(30)31/h3-13H,1-2H3,(H,24,29)(H2,25,26,28,32)