4-(1,3-dithiolan-2-yl)-N-ethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-ethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-ethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-ethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-ethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-ethyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H21N3O2S2/c1-2-24(13-18-22-17-6-4-3-5-16(17)19(25)23-18)20(26)14-7-9-15(10-8-14)21-27-11-12-28-21/h3-10,21H,2,11-13H2,1H3,(H,22,23,25)