N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide

Systemtic Name: N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: N-[3-(2-oxo-1-pyrrolidinyl)propyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide IUPAC Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)propyl]-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3

InChI

InChI=1S/C22H21N5O2S/c28-19-7-3-11-26(19)12-4-10-23-21(29)14-8-9-15-17(13-14)25-22(30)27-18-6-2-1-5-16(18)24-20(15)27/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,23,29)(H,25,30)