3-chloranyl-4-ethoxy-N-[(2-ethyl-4-iodanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-ethoxy-N-[(2-ethyl-4-iodanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[(2-ethyl-4-iodo-phenyl)carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[(2-ethyl-4-iodoanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[(2-ethyl-4-iodophenyl)carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[(2-ethyl-4-iodo-phenyl)thiocarbamoyl]benzamide Formula: C18H18ClIN2O2S MolecularWeight: 488.77019

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Cl

InChI

InChI=1S/C18H18ClIN2O2S/c1-3-11-9-13(20)6-7-15(11)21-18(25)22-17(23)12-5-8-16(24-4-2)14(19)10-12/h5-10H,3-4H2,1-2H3,(H2,21,22,23,25)