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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(1,3-benzothiazol-2-yl)propyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(1,3-benzothiazol-2-yl)propyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(1,3-benzothiazol-2-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(1,3-benzothiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-[3-(1,3-benzothiazol-2-yl)propyl]-5-keto-pyrrolidine-3-carboxamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NCCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3O4S/c26-21-10-14(12-25(21)15-7-8-17-18(11-15)29-13-28-17)22(27)23-9-3-6-20-24-16-4-1-2-5-19(16)30-20/h1-2,4-5,7-8,11,14H,3,6,9-10,12-13H2,(H,23,27)