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

Systemtic Name: 2-(6-azanylhexanoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide Openeye Name: 2-(6-aminohexanoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide CAS Name: 2-[(6-amino-1-oxohexyl)amino]-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide IUPAC Name: 2-(6-aminohexanoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide Traditional Name: 2-(6-aminohexanoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-valeramide Formula: C22H34N6O2S MolecularWeight: 446.60936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N6O2S/c1-5-15(2)19(24-18(29)9-7-6-8-14-23)20(30)25-22-27-26-21(31-22)16-10-12-17(13-11-16)28(3)4/h10-13,15,19H,5-9,14,23H2,1-4H3,(H,24,29)(H,25,27,30)