1-[(5-ethylthiophen-2-yl)-(4-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-(4-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-thienyl)-(p-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-thiophenyl)-(4-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylthiophen-2-yl)-(4-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-thienyl)-(p-tolyl)methyl]-1,4-diazepane Formula: C19H26N2S MolecularWeight: 314.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC=C(C=C2)C)N3CCCNCC3

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC=C(C=C2)C)N3CCCNCC3

InChI

InChI=1S/C19H26N2S/c1-3-17-9-10-18(22-17)19(16-7-5-15(2)6-8-16)21-13-4-11-20-12-14-21/h5-10,19-20H,3-4,11-14H2,1-2H3