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

Systemtic Name: 1-[(2,5-dimethylphenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(2,5-dimethylphenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2,5-dimethylphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,5-dimethylphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(2,5-dimethylphenyl)-(3-thienyl)methyl]-1,4-diazepane Formula: C18H24N2S MolecularWeight: 300.46156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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