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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-27-20-9-8-18(28-20)21(26)24-13-5-12-23(14-15-24)16-19(25)22-11-10-17-6-3-2-4-7-17/h2-4,6-9H,5,10-16H2,1H3,(H,22,25)