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

Systemtic Name: N-(3-morpholin-4-ylpropyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide Openeye Name: N-(3-morpholinopropyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzamide CAS Name: N-[3-(4-morpholinyl)propyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide Traditional Name: N-(3-morpholinopropyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C23H27N5O2S/c29-22(24-10-3-11-28-12-14-30-15-13-28)18-8-6-17(7-9-18)16-25-21-19-4-1-2-5-20(19)26-23(31)27-21/h1-2,4-9H,3,10-16H2,(H,24,29)(H2,25,26,27,31)