N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-4-chloranyl-benzamide

Systemtic Name: N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-4-chloranyl-benzamide Openeye Name: N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-propyl]-4-chloro-benzamide CAS Name: N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxopropyl]-4-chlorobenzamide IUPAC Name: N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-4-chlorobenzamide Traditional Name: N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-propyl]-4-chloro-benzamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20ClN3O2S/c22-15-9-7-14(8-10-15)20(27)23-12-11-19(26)25-13-3-5-17(25)21-24-16-4-1-2-6-18(16)28-21/h1-2,4,6-10,17H,3,5,11-13H2,(H,23,27)/t17-/m1/s1