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

Systemtic Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-methylphenyl)carbamoylamino]pentanamide Openeye Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(o-tolylcarbamoylamino)pentanamide CAS Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[(2-methylanilino)-oxomethyl]amino]pentanamide IUPAC Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-methylphenyl)carbamoylamino]pentanamide Traditional Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(o-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(=CC=C2)Br)NC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)Br)NC(=O)NC3=CC=CC=C3C

InChI

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