N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-cyanophenyl)carbamoylamino]-3-methyl-pentanamide

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-cyanophenyl)carbamoylamino]-3-methyl-pentanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-cyanophenyl)carbamoylamino]-3-methyl-pentanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[[(4-cyanoanilino)-oxomethyl]amino]-3-methylpentanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-cyanophenyl)carbamoylamino]-3-methylpentanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-cyanophenyl)carbamoylamino]-3-methyl-valeramide Formula: C22H21BrN6O2S MolecularWeight: 513.41014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)NC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)NC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21BrN6O2S/c1-3-13(2)18(26-21(31)25-17-10-4-14(12-24)5-11-17)19(30)27-22-29-28-20(32-22)15-6-8-16(23)9-7-15/h4-11,13,18H,3H2,1-2H3,(H2,25,26,31)(H,27,29,30)