3-[[2-(butylcarbamoylamino)-4-methyl-1,3-thiazol-5-yl]carbonylamino]-4-methyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[2-(butylcarbamoylamino)-4-methyl-1,3-thiazol-5-yl]carbonylamino]-4-methyl-thiophene-2-carboxylic acid Openeye Name: 3-[[2-(butylcarbamoylamino)-4-methyl-thiazole-5-carbonyl]amino]-4-methyl-thiophene-2-carboxylic acid CAS Name: 3-[[[2-[[butylamino(oxo)methyl]amino]-4-methyl-5-thiazolyl]-oxomethyl]amino]-4-methyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(butylcarbamoylamino)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methylthiophene-2-carboxylic acid Traditional Name: 3-[[2-(butylcarbamoylamino)-4-methyl-thiazole-5-carbonyl]amino]-4-methyl-2-thenoic acid Formula: C16H20N4O4S2 MolecularWeight: 396.4844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NC(=C(S1)C(=O)NC2=C(SC=C2C)C(=O)O)C

Isomeric SMILES

CCCCNC(=O)NC1=NC(=C(S1)C(=O)NC2=C(SC=C2C)C(=O)O)C

InChI

InChI=1S/C16H20N4O4S2/c1-4-5-6-17-15(24)20-16-18-9(3)11(26-16)13(21)19-10-8(2)7-25-12(10)14(22)23/h7H,4-6H2,1-3H3,(H,19,21)(H,22,23)(H2,17,18,20,24)