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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)N3CCCNCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CS2)N3CCCNCC3

InChI

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