N-(3-chloranyl-4-methoxy-phenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(1-cyclopropyl-2-imidazolyl)thio]-2-phenylacetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-2-phenylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(1-cyclopropylimidazol-2-yl)thio]-2-phenyl-acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=CN3C4CC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=CN3C4CC4)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-27-18-10-7-15(13-17(18)22)24-20(26)19(14-5-3-2-4-6-14)28-21-23-11-12-25(21)16-8-9-16/h2-7,10-13,16,19H,8-9H2,1H3,(H,24,26)