N-[(4-chlorophenyl)methyl]-4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-[(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Traditional Name: N-(4-chlorobenzyl)-4-[(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide Formula: C27H26ClN3O4S MolecularWeight: 524.03104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)OCC

InChI

InChI=1S/C27H26ClN3O4S/c1-3-34-23-13-21-22(14-24(23)35-4-2)30-27(36)31(26(21)33)16-18-5-9-19(10-6-18)25(32)29-15-17-7-11-20(28)12-8-17/h5-14H,3-4,15-16H2,1-2H3,(H,29,32)(H,30,36)