N-[(3-chlorophenyl)methyl]-4-[(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-[(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-[(6-morpholino-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]methyl]benzamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-[(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Traditional Name: N-(3-chlorobenzyl)-4-[(4-keto-6-morpholino-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide Formula: C27H25ClN4O3S MolecularWeight: 521.0304

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H25ClN4O3S/c28-21-3-1-2-19(14-21)16-29-25(33)20-6-4-18(5-7-20)17-32-26(34)23-15-22(31-10-12-35-13-11-31)8-9-24(23)30-27(32)36/h1-9,14-15H,10-13,16-17H2,(H,29,33)(H,30,36)