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

Systemtic Name: 2-(4-chloranylbutanoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide Openeye Name: 2-(4-chlorobutanoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide CAS Name: 2-[(4-chloro-1-oxobutyl)amino]-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide IUPAC Name: 2-(4-chlorobutanoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide Traditional Name: 2-(4-chlorobutanoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-valeramide Formula: C20H28ClN5O2S MolecularWeight: 437.98662

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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)CCCCl

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN5O2S/c1-5-13(2)17(22-16(27)7-6-12-21)18(28)23-20-25-24-19(29-20)14-8-10-15(11-9-14)26(3)4/h8-11,13,17H,5-7,12H2,1-4H3,(H,22,27)(H,23,25,28)