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

Systemtic Name: N-[5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: N-[5-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: N-[5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: N-[5-[[2-keto-2-(p-toluidino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2S2/c1-14-7-10-16(11-8-14)21-18(26)13-27-20-24-23-19(28-20)22-17(25)12-9-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3,(H,21,26)(H,22,23,25)