2-(6-azanylhexanoylamino)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide

Systemtic Name: 2-(6-azanylhexanoylamino)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide Openeye Name: 2-(6-aminohexanoylamino)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide CAS Name: 2-[(6-amino-1-oxohexyl)amino]-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide IUPAC Name: 2-(6-aminohexanoylamino)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide Traditional Name: 2-(6-aminohexanoylamino)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-valeramide Formula: C20H28BrN5O2S MolecularWeight: 482.43762

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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)CCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C20H28BrN5O2S/c1-3-13(2)17(23-16(27)7-5-4-6-12-22)18(28)24-20-26-25-19(29-20)14-8-10-15(21)11-9-14/h8-11,13,17H,3-7,12,22H2,1-2H3,(H,23,27)(H,24,26,28)