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

Systemtic Name: 1-[(3,5-dimethylphenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethylphenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethylphenyl)-(3-thienyl)methyl]-1,4-diazepane Formula: C18H24N2S MolecularWeight: 300.46156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2S/c1-14-10-15(2)12-17(11-14)18(16-4-9-21-13-16)20-7-3-5-19-6-8-20/h4,9-13,18-19H,3,5-8H2,1-2H3