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

Systemtic Name: 1-[(2,4-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2,4-dimethylphenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-dimethylphenyl)-(5-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2,4-dimethylphenyl)-(5-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=C(S2)C)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=C(S2)C)N3CCCNCC3)C

InChI

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