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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethylphenyl)-(5-ethyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-(5-ethyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethylphenyl)-(5-ethyl-2-thienyl)methyl]-1,4-diazepane Formula: C20H28N2S MolecularWeight: 328.51472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2S/c1-4-18-6-7-19(23-18)20(22-10-5-8-21-9-11-22)17-13-15(2)12-16(3)14-17/h6-7,12-14,20-21H,4-5,8-11H2,1-3H3