2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-N-[(1R)-1-phenylpropyl]azetidine-1-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-N-[(1R)-1-phenylpropyl]azetidine-1-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-N-[(1R)-1-phenylpropyl]azetidine-1-carboxamide CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-N-[(1R)-1-phenylpropyl]-1-azetidinecarboxamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-N-[(1R)-1-phenylpropyl]azetidine-1-carboxamide Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-N-[(1R)-1-phenylpropyl]azetidine-1-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)N2C(CC2=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O2S2/c1-2-16(14-8-4-3-5-9-14)22-20(26)24-15(12-19(24)25)13-27-21-23-17-10-6-7-11-18(17)28-21/h3-11,15-16H,2,12-13H2,1H3,(H,22,26)/t15?,16-/m1/s1