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

Systemtic Name: 2-(butylcarbamoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide Openeye Name: 2-(butylcarbamoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide CAS Name: 2-[[butylamino(oxo)methyl]amino]-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide IUPAC Name: 2-(butylcarbamoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide Traditional Name: 2-(butylcarbamoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-valeramide Formula: C21H32N6O2S MolecularWeight: 432.58278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N6O2S/c1-6-8-13-22-20(29)23-17(14(3)7-2)18(28)24-21-26-25-19(30-21)15-9-11-16(12-10-15)27(4)5/h9-12,14,17H,6-8,13H2,1-5H3,(H2,22,23,29)(H,24,26,28)