N-oct-3-ynyl-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1,3-thiazole-5-carboxamide

Systemtic Name: N-oct-3-ynyl-2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1,3-thiazole-5-carboxamide Openeye Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]-N-oct-3-ynyl-thiazole-5-carboxamide CAS Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-oct-3-ynyl-5-thiazolecarboxamide IUPAC Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-oct-3-ynyl-1,3-thiazole-5-carboxamide Traditional Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]-N-oct-3-ynyl-thiazole-5-carboxamide Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCCNC(=O)C1=CN=C(S1)OCC(CNC(C)C)O

Isomeric SMILES

CCCCC#CCCNC(=O)C1=CN=C(S1)OCC(CNC(C)C)O

InChI

InChI=1S/C18H29N3O3S/c1-4-5-6-7-8-9-10-19-17(23)16-12-21-18(25-16)24-13-15(22)11-20-14(2)3/h12,14-15,20,22H,4-6,9-11,13H2,1-3H3,(H,19,23)