5-(dimethylcarbamoylamino)-3-(naphthalen-1-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(dimethylcarbamoylamino)-3-(naphthalen-1-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-(1-naphthylmethylsulfanyl)isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-(1-naphthalenylmethylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-(naphthalen-1-ylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(dimethylcarbamoylamino)-3-(1-naphthylmethylthio)isothiazole-4-carboxylic 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(=NS1)SCC2=CC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=NS1)SCC2=CC=CC3=CC=CC=C32)C(=O)O

InChI

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