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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-methylsulfanylphenyl)carbamoylamino]pentanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-methylsulfanylphenyl)carbamoylamino]pentanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[[4-(methylthio)anilino]-oxomethyl]amino]pentanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-methylsulfanylphenyl)carbamoylamino]pentanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[4-(methylthio)phenyl]carbamoylamino]valeramide Formula: C22H24BrN5O2S2 MolecularWeight: 534.49226

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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=C(C=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN5O2S2/c1-4-13(2)18(25-21(30)24-16-9-11-17(31-3)12-10-16)19(29)26-22-28-27-20(32-22)14-5-7-15(23)8-6-14/h5-13,18H,4H2,1-3H3,(H2,24,25,30)(H,26,28,29)