5-[3-(dimethylamino)propylcarbamoylamino]-3-hexylsulfanyl-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[3-(dimethylamino)propylcarbamoylamino]-3-hexylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-[3-(dimethylamino)propylcarbamoylamino]-3-hexylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[[3-(dimethylamino)propylamino]-oxomethyl]amino]-3-(hexylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-[3-(dimethylamino)propylcarbamoylamino]-3-hexylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 5-[3-(dimethylamino)propylcarbamoylamino]-3-(hexylthio)isothiazole-4-carboxylic acid Formula: C16H28N4O3S2 MolecularWeight: 388.54852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCCN(C)C

Isomeric SMILES

CCCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCCN(C)C

InChI

InChI=1S/C16H28N4O3S2/c1-4-5-6-7-11-24-14-12(15(21)22)13(25-19-14)18-16(23)17-9-8-10-20(2)3/h4-11H2,1-3H3,(H,21,22)(H2,17,18,23)