3-(3-methoxyphenyl)-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-(3-methoxyphenyl)-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(3-methoxyphenyl)-N-[5-(4-quinolylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 3-(3-methoxyphenyl)-N-[5-(4-quinolinylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(3-methoxyphenyl)-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(3-methoxyphenyl)-N-[5-(4-quinolylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(=O)NC2=NN=C(S2)SC3=CC=NC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)CCC(=O)NC2=NN=C(S2)SC3=CC=NC4=CC=CC=C43

InChI

InChI=1S/C21H18N4O2S2/c1-27-15-6-4-5-14(13-15)9-10-19(26)23-20-24-25-21(29-20)28-18-11-12-22-17-8-3-2-7-16(17)18/h2-8,11-13H,9-10H2,1H3,(H,23,24,26)