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

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-[(5-methylsulfanyl-2-thienyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[[5-(methylthio)-2-thiophenyl]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-[[5-(methylthio)-2-thienyl]methyl]-1,4-diazepan-1-yl]acetamide Formula: C23H33N3OS2 MolecularWeight: 431.65762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)CC3=CC=C(S3)SC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)CC3=CC=C(S3)SC

InChI

InChI=1S/C23H33N3OS2/c1-4-18-8-6-9-19(5-2)23(18)24-21(27)17-26-13-7-12-25(14-15-26)16-20-10-11-22(28-3)29-20/h6,8-11H,4-5,7,12-17H2,1-3H3,(H,24,27)