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

Systemtic Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(phenylcarbamoylamino)pentanamide Openeye Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(phenylcarbamoylamino)pentanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide IUPAC Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(phenylcarbamoylamino)pentanamide Traditional Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(phenylcarbamoylamino)valeramide Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN5O2S/c1-3-13(2)17(24-20(29)23-16-10-5-4-6-11-16)18(28)25-21-27-26-19(30-21)14-8-7-9-15(22)12-14/h4-13,17H,3H2,1-2H3,(H2,23,24,29)(H,25,27,28)