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

Systemtic Name: 1-[(2,4-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2,4-dimethylphenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-dimethylphenyl)-(4-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2,4-dimethylphenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C19H26N2S MolecularWeight: 314.48814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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