N-[3-cyclohexyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-cyclohexyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(3-cyclohexyl-2,6-dioxo-pyrimidin-4-yl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(3-cyclohexyl-2,6-dioxo-4-pyrimidinyl)-2-(2-quinolinylthio)acetamide IUPAC Name: N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(3-cyclohexyl-2,6-diketo-pyrimidin-4-yl)-2-(2-quinolylthio)acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(CC1)N2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22N4O3S/c26-18-12-17(25(21(28)24-18)15-7-2-1-3-8-15)23-19(27)13-29-20-11-10-14-6-4-5-9-16(14)22-20/h4-6,9-12,15H,1-3,7-8,13H2,(H,23,27)(H,24,26,28)