4-ethoxy-N-[5-[(4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-ethoxy-N-[5-[(4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-ethoxy-N-[5-[(4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-ethoxy-N-[5-[(4-oxo-1H-quinolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-ethoxy-N-[5-[(4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-ethoxy-N-[5-[(4-keto-1H-quinolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H18N4O3S2/c1-2-28-15-9-7-13(8-10-15)19(27)23-20-24-25-21(30-20)29-12-14-11-18(26)16-5-3-4-6-17(16)22-14/h3-11H,2,12H2,1H3,(H,22,26)(H,23,24,27)