N-[5-[(5,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: N-[5-[(5,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[(4-keto-5,8-dimethyl-1H-quinolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)C=C(NC2=C(C=C1)C)CSC3=NN=C(S3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=O)C=C(NC2=C(C=C1)C)CSC3=NN=C(S3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S2/c1-12-8-9-13(2)18-17(12)16(26)10-15(22-18)11-28-21-25-24-20(29-21)23-19(27)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,26)(H,23,24,27)