N-(3-pyrrolidin-1-ylpropyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide

Systemtic Name: N-(3-pyrrolidin-1-ylpropyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide Openeye Name: N-(3-pyrrolidin-1-ylpropyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzamide CAS Name: N-[3-(1-pyrrolidinyl)propyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide IUPAC Name: N-(3-pyrrolidin-1-ylpropyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide Traditional Name: N-(3-pyrrolidinopropyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)CCCNC(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C23H27N5OS/c29-22(24-12-5-15-28-13-3-4-14-28)18-10-8-17(9-11-18)16-25-21-19-6-1-2-7-20(19)26-23(30)27-21/h1-2,6-11H,3-5,12-16H2,(H,24,29)(H2,25,26,27,30)