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

Systemtic Name: 1-[(2,5-dimethylphenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(2,5-dimethylphenyl)-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2,5-dimethylphenyl)-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(2,5-dimethylphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(2,5-dimethylphenyl)-(2-thienyl)methyl]-1,4-diazepane Formula: C18H24N2S MolecularWeight: 300.46156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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