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

Systemtic Name: N-[2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S2/c27-21(11-8-16-5-2-1-3-6-16)25-17-9-10-19-20(13-17)31-23(26-19)30-15-22(28)24-14-18-7-4-12-29-18/h1-3,5-6,9-10,13,18H,4,7-8,11-12,14-15H2,(H,24,28)(H,25,27)