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

Systemtic Name: N-[4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]phenyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C25H33N5O3S MolecularWeight: 483.62622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N5O3S/c1-28-17-12-26-25(28)34-18-22(31)27-21-8-6-19(7-9-21)23(32)30-15-10-20(11-16-30)24(33)29-13-4-2-3-5-14-29/h6-9,12,17,20H,2-5,10-11,13-16,18H2,1H3,(H,27,31)