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

Systemtic Name: N-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S2/c26-20(11-8-16-6-2-1-3-7-16)23-17-9-10-18-19(14-17)29-22(24-18)28-15-21(27)25-12-4-5-13-25/h1-3,6-7,9-10,14H,4-5,8,11-13,15H2,(H,23,26)