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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(m-tolylcarbamoylamino)pentanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[(3-methylanilino)-oxomethyl]amino]pentanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(m-tolylcarbamoylamino)valeramide Formula: C22H24BrN5O2S MolecularWeight: 502.42726

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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=CC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN5O2S/c1-4-14(3)18(25-21(30)24-17-7-5-6-13(2)12-17)19(29)26-22-28-27-20(31-22)15-8-10-16(23)11-9-15/h5-12,14,18H,4H2,1-3H3,(H2,24,25,30)(H,26,28,29)