1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanone

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanone Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-2-[4-(p-tolyl)-2-thioxo-thiazol-3-yl]ethanone CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-3-thiazolyl]ethanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanone Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-2-[4-(p-tolyl)-2-thioxo-4-thiazolin-3-yl]ethanone Formula: C24H31N3O2S2 MolecularWeight: 457.65184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O2S2/c1-18-6-8-19(9-7-18)21-17-31-24(30)27(21)16-22(28)25-14-10-20(11-15-25)23(29)26-12-4-2-3-5-13-26/h6-9,17,20H,2-5,10-16H2,1H3