2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]sulfanyl-N,N-dimethyl-ethanamide

Systemtic Name: 2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]sulfanyl-N,N-dimethyl-ethanamide Openeye Name: 2-[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethyl-acetamide CAS Name: 2-[[2-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]phenyl]thio]-N,N-dimethylacetamide IUPAC Name: 2-[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide Traditional Name: 2-[[2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]thio]-N,N-dimethyl-acetamide Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H33N3O3S/c1-24(2)21(27)17-30-20-10-6-5-9-19(20)23(29)26-15-11-18(12-16-26)22(28)25-13-7-3-4-8-14-25/h5-6,9-10,18H,3-4,7-8,11-17H2,1-2H3