4-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N-(4-ethoxyphenyl)benzamide

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N-(4-ethoxyphenyl)benzamide Openeye Name: 4-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-N-(4-ethoxyphenyl)benzamide CAS Name: 4-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-N-(4-ethoxyphenyl)benzamide IUPAC Name: 4-[(2-chloro-5-nitrophenyl)carbamothioylamino]-N-(4-ethoxyphenyl)benzamide Traditional Name: 4-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-N-p-phenetyl-benzamide Formula: C22H19ClN4O4S MolecularWeight: 470.92866

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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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O4S/c1-2-31-18-10-7-15(8-11-18)24-21(28)14-3-5-16(6-4-14)25-22(32)26-20-13-17(27(29)30)9-12-19(20)23/h3-13H,2H2,1H3,(H,24,28)(H2,25,26,32)