1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[[4-(methylthio)phenyl]-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[[4-(methylthio)phenyl]-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(C=C2)SC)N3CCCNCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(C=C2)SC)N3CCCNCC3

InChI

InChI=1S/C22H30N2O3S/c1-25-19-14-17(15-20(26-2)22(19)27-3)21(24-12-5-10-23-11-13-24)16-6-8-18(28-4)9-7-16/h6-9,14-15,21,23H,5,10-13H2,1-4H3