N-(3-chloranyl-4-methoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3-chloro-4-methoxyphenyl)acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C22H20ClN3O2S2 MolecularWeight: 457.9961

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H20ClN3O2S2/c1-28-20-11-10-17(13-19(20)23)24-21(27)14-30-18-9-5-8-16(12-18)26-22(29)25-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,24,27)(H2,25,26,29)