N-(3-cyclohexylsulfanylpropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-quinolinecarboxamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]cinchoninamide Formula: C22H26N4OS3 MolecularWeight: 458.66304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCSC4CCCCC4

Isomeric SMILES

CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCSC4CCCCC4

InChI

InChI=1S/C22H26N4OS3/c1-15-25-26-22(29-15)30-20-14-18(17-10-5-6-11-19(17)24-20)21(27)23-12-7-13-28-16-8-3-2-4-9-16/h5-6,10-11,14,16H,2-4,7-9,12-13H2,1H3,(H,23,27)