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

Systemtic Name: 4-chloranyl-N-[2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-chloro-N-[2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-chloro-N-[2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-chloro-N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-chloro-N-[2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC(OC1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O3S2/c22-14-5-3-13(4-6-14)20(27)24-15-7-8-17-18(10-15)30-21(25-17)29-12-19(26)23-11-16-2-1-9-28-16/h3-8,10,16H,1-2,9,11-12H2,(H,23,26)(H,24,27)