N-(2,6-dimethylphenyl)-2-[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(5-methylsulfanyl-2-thienyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[5-(methylthio)-2-thiophenyl]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[[5-(methylthio)-2-thienyl]methyl]-1,4-diazepan-1-yl]acetamide Formula: C21H29N3OS2 MolecularWeight: 403.60446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)CC3=CC=C(S3)SC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)CC3=CC=C(S3)SC

InChI

InChI=1S/C21H29N3OS2/c1-16-6-4-7-17(2)21(16)22-19(25)15-24-11-5-10-23(12-13-24)14-18-8-9-20(26-3)27-18/h4,6-9H,5,10-15H2,1-3H3,(H,22,25)