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

Systemtic Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-methylpropanoylamino)pentanamide Openeye Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-methylpropanoylamino)pentanamide CAS Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-methyl-1-oxopropyl)amino]pentanamide IUPAC Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-methylpropanoylamino)pentanamide Traditional Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(isobutyrylamino)-3-methyl-valeramide Formula: C18H23BrN4O2S MolecularWeight: 439.36982

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN4O2S/c1-5-11(4)14(20-15(24)10(2)3)16(25)21-18-23-22-17(26-18)12-7-6-8-13(19)9-12/h6-11,14H,5H2,1-4H3,(H,20,24)(H,21,23,25)