4-butoxy-N-[5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-butoxy-N-[5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-butoxy-N-[5-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-butoxy-N-[5-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-butoxy-N-[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-butoxy-N-[5-[[2-keto-2-(m-toluidino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C22H24N4O3S2/c1-3-4-12-29-18-10-8-16(9-11-18)20(28)24-21-25-26-22(31-21)30-14-19(27)23-17-7-5-6-15(2)13-17/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,27)(H,24,25,28)