N-(4-ethoxyphenyl)-4-[(4-nitrophenyl)carbamothioylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[(4-nitrophenyl)carbamothioylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[(4-nitrophenyl)carbamothioylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(4-nitrophenyl)carbamothioylamino]benzamide Traditional Name: 4-[(4-nitrophenyl)thiocarbamoylamino]-N-p-phenetyl-benzamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4S/c1-2-30-20-13-9-16(10-14-20)23-21(27)15-3-5-17(6-4-15)24-22(31)25-18-7-11-19(12-8-18)26(28)29/h3-14H,2H2,1H3,(H,23,27)(H2,24,25,31)