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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(5-methylsulfanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(5-methylsulfanylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[5-(methylthio)-2-thiophenyl]-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(5-methylsulfanylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[5-(methylthio)thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)C3=CC=C(S3)SC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)C3=CC=C(S3)SC

InChI

InChI=1S/C21H27N3O2S2/c1-15-6-4-7-16(2)20(15)22-18(25)14-23-10-5-11-24(13-12-23)21(26)17-8-9-19(27-3)28-17/h4,6-9H,5,10-14H2,1-3H3,(H,22,25)