N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[(3-chloro-4-methoxy-phenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H21ClN2O4S/c1-28-21-11-10-17(15-20(21)24)25-23(31)26-22(27)16-6-5-9-19(14-16)30-13-12-29-18-7-3-2-4-8-18/h2-11,14-15H,12-13H2,1H3,(H2,25,26,27,31)