3-(aminocarbonylamino)-3-hexylsulfanyl-5-(3-pyrrolidin-1-ylpropyl)-2H-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-(aminocarbonylamino)-3-hexylsulfanyl-5-(3-pyrrolidin-1-ylpropyl)-2H-1,2-thiazole-4-carboxylic acid Openeye Name: 3-hexylsulfanyl-5-(3-pyrrolidin-1-ylpropyl)-3-ureido-2H-isothiazole-4-carboxylic acid CAS Name: 3-(carbamoylamino)-3-(hexylthio)-5-[3-(1-pyrrolidinyl)propyl]-2H-isothiazole-4-carboxylic acid IUPAC Name: 3-(carbamoylamino)-3-hexylsulfanyl-5-(3-pyrrolidin-1-ylpropyl)-2H-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(hexylthio)-5-(3-pyrrolidinopropyl)-3-ureido-4-isothiazoline-4-carboxylic acid Formula: C18H32N4O3S2 MolecularWeight: 416.60168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1(C(=C(SN1)CCCN2CCCC2)C(=O)O)NC(=O)N

Isomeric SMILES

CCCCCCSC1(C(=C(SN1)CCCN2CCCC2)C(=O)O)NC(=O)N

InChI

InChI=1S/C18H32N4O3S2/c1-2-3-4-7-13-26-18(20-17(19)25)15(16(23)24)14(27-21-18)9-8-12-22-10-5-6-11-22/h21H,2-13H2,1H3,(H,23,24)(H3,19,20,25)