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

Systemtic Name: 1-[(4-ethylphenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-ethylphenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(4-ethylphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-ethylphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-ethylphenyl)-(3-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=CSC=C2)N3CCCNCC3

Isomeric SMILES

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

InChI

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