4-chloranyl-N-[(2-ethoxyphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2-ethoxyphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2-ethoxyphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2-ethoxyanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2-ethoxyphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-(o-phenetylthiocarbamoyl)benzamide Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN3O4S/c1-2-24-14-6-4-3-5-12(14)18-16(25)19-15(21)10-7-8-11(17)13(9-10)20(22)23/h3-9H,2H2,1H3,(H2,18,19,21,25)