3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(phenylmethyl)carbamoylamino]butanamide

Systemtic Name: 3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(phenylmethyl)carbamoylamino]butanamide Openeye Name: 2-(benzylcarbamoylamino)-3-methyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[[oxo-[(phenylmethyl)amino]methyl]amino]butanamide IUPAC Name: 2-(benzylcarbamoylamino)-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: 2-(benzylcarbamoylamino)-3-methyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(C(C)C)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(C(C)C)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-14(2)18(24-21(29)23-13-16-7-5-4-6-8-16)19(28)25-22-27-26-20(30-22)17-11-9-15(3)10-12-17/h4-12,14,18H,13H2,1-3H3,(H2,23,24,29)(H,25,27,28)