5-(2-dimethylaminoethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-pentylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[(2-dimethylaminoethylamino)-oxomethyl]amino]-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-(2-dimethylaminoethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C14H24N4O3S2 MolecularWeight: 360.49536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCN(C)C

Isomeric SMILES

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCN(C)C

InChI

InChI=1S/C14H24N4O3S2/c1-4-5-6-9-22-12-10(13(19)20)11(23-17-12)16-14(21)15-7-8-18(2)3/h4-9H2,1-3H3,(H,19,20)(H2,15,16,21)