N-[2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]-1,3-benzothiazol-6-yl]propionamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCC3CCCO3

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCC3CCCO3

InChI

InChI=1S/C17H21N3O3S2/c1-2-15(21)19-11-5-6-13-14(8-11)25-17(20-13)24-10-16(22)18-9-12-4-3-7-23-12/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,18,22)(H,19,21)