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

Systemtic Name: N-[5-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: N-[5-[2-oxo-2-(p-tolylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: N-[5-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: N-[5-[[2-keto-2-[(4-methylbenzyl)amino]ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S2/c1-15-7-9-17(10-8-15)13-22-19(27)14-28-21-25-24-20(29-21)23-18(26)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,22,27)(H,23,24,26)