N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-bromophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-bromophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-bromophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-bromophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-bromophenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC(=CC=C2)Br)C(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)Br)C(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18BrN3O2S/c21-14-4-3-5-15(11-14)24-12-13(10-19(24)25)20(26)22-9-8-18-23-16-6-1-2-7-17(16)27-18/h1-7,11,13H,8-10,12H2,(H,22,26)