1-[(3,5-dimethylphenyl)-thiophen-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3,5-dimethylphenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethylphenyl)-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethylphenyl)-(2-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=CC=CS2)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=CS2)N3CCCNCC3)C

InChI

InChI=1S/C18H24N2S/c1-14-11-15(2)13-16(12-14)18(17-5-3-10-21-17)20-8-4-6-19-7-9-20/h3,5,10-13,18-19H,4,6-9H2,1-2H3