N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-2-quinolyl)thio]propionamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=NN=C(S3)C4CCCCC4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=NN=C(S3)C4CCCCC4

InChI

InChI=1S/C21H24N4OS2/c1-13-12-18(22-17-11-7-6-10-16(13)17)27-14(2)19(26)23-21-25-24-20(28-21)15-8-4-3-5-9-15/h6-7,10-12,14-15H,3-5,8-9H2,1-2H3,(H,23,25,26)