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

Systemtic Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-3-methyl-pentanamide Openeye Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3-chloro-4-methyl-phenyl)carbamoylamino]-3-methyl-pentanamide CAS Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[[(3-chloro-4-methylanilino)-oxomethyl]amino]-3-methylpentanamide IUPAC Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylpentanamide Traditional Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3-chloro-4-methyl-phenyl)carbamoylamino]-3-methyl-valeramide Formula: C22H23BrClN5O2S MolecularWeight: 536.87232

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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(=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrClN5O2S/c1-4-12(2)18(26-21(31)25-16-9-8-13(3)17(24)11-16)19(30)27-22-29-28-20(32-22)14-6-5-7-15(23)10-14/h5-12,18H,4H2,1-3H3,(H2,25,26,31)(H,27,29,30)