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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethylphenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane Formula: C21H28N2S MolecularWeight: 340.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)SC)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)SC)N3CCCNCC3)C

InChI

InChI=1S/C21H28N2S/c1-16-13-17(2)15-19(14-16)21(23-11-4-9-22-10-12-23)18-5-7-20(24-3)8-6-18/h5-8,13-15,21-22H,4,9-12H2,1-3H3