1-[(5-chloranyl-2-methoxy-phenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-methoxyphenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane Formula: C20H25ClN2OS MolecularWeight: 376.9433

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC=C(C=C2)SC)N3CCCNCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=C(C=C2)SC)N3CCCNCC3

InChI

InChI=1S/C20H25ClN2OS/c1-24-19-9-6-16(21)14-18(19)20(23-12-3-10-22-11-13-23)15-4-7-17(25-2)8-5-15/h4-9,14,20,22H,3,10-13H2,1-2H3