4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: 4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoate Openeye Name: 4-[[4-[4-methyl-2-(propanoylamino)thiazol-5-yl]thiazol-2-yl]amino]benzoate CAS Name: 4-[[4-[4-methyl-2-(1-oxopropylamino)-5-thiazolyl]-2-thiazolyl]amino]benzoate IUPAC Name: 4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 4-[[4-(4-methyl-2-propionamido-thiazol-5-yl)thiazol-2-yl]amino]benzoate Formula: C17H15N4O3S2- MolecularWeight: 387.456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C17H16N4O3S2/c1-3-13(22)21-17-18-9(2)14(26-17)12-8-25-16(20-12)19-11-6-4-10(5-7-11)15(23)24/h4-8H,3H2,1-2H3,(H,19,20)(H,23,24)(H,18,21,22)/p-1