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

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(5-methylsulfanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(5-methylsulfanylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[[5-(methylthio)-2-thiophenyl]-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(5-methylsulfanylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-[5-(methylthio)thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=CC=C(S3)SC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=CC=C(S3)SC

InChI

InChI=1S/C23H31N3O2S2/c1-4-17-8-6-9-18(5-2)22(17)24-20(27)16-25-12-7-13-26(15-14-25)23(28)19-10-11-21(29-3)30-19/h6,8-11H,4-5,7,12-16H2,1-3H3,(H,24,27)