2-(dimethylcarbamoylamino)-4-(quinolin-2-ylmethylsulfanyl)thiophene-3-carboxylic acid

Systemtic Name: 2-(dimethylcarbamoylamino)-4-(quinolin-2-ylmethylsulfanyl)thiophene-3-carboxylic acid Openeye Name: 2-(dimethylcarbamoylamino)-4-(2-quinolylmethylsulfanyl)thiophene-3-carboxylic acid CAS Name: 2-[[dimethylamino(oxo)methyl]amino]-4-(2-quinolinylmethylthio)-3-thiophenecarboxylic acid IUPAC Name: 2-(dimethylcarbamoylamino)-4-(quinolin-2-ylmethylsulfanyl)thiophene-3-carboxylic acid Traditional Name: 2-(dimethylcarbamoylamino)-4-(2-quinolylmethylthio)-3-thenoic acid Formula: C18H17N3O3S2 MolecularWeight: 387.47588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C(=CS1)SCC2=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=CS1)SCC2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C18H17N3O3S2/c1-21(2)18(24)20-16-15(17(22)23)14(10-26-16)25-9-12-8-7-11-5-3-4-6-13(11)19-12/h3-8,10H,9H2,1-2H3,(H,20,24)(H,22,23)