N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(2-quinolylthio)acetamide Formula: C23H22N4OS2 MolecularWeight: 434.57698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H22N4OS2/c1-23(2,3)17-11-8-16(9-12-17)21-26-22(27-30-21)25-19(28)14-29-20-13-10-15-6-4-5-7-18(15)24-20/h4-13H,14H2,1-3H3,(H,25,27,28)