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

Systemtic Name: N-[(3-chlorophenyl)methyl]-6-(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[(3-chlorophenyl)methyl]-6-(6-morpholino-4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[(3-chlorophenyl)methyl]-6-[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]hexanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(3-chlorobenzyl)-6-(4-keto-6-morpholino-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C25H29ClN4O3S MolecularWeight: 501.04076

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H29ClN4O3S/c26-19-6-4-5-18(15-19)17-27-23(31)7-2-1-3-10-30-24(32)21-16-20(29-11-13-33-14-12-29)8-9-22(21)28-25(30)34/h4-6,8-9,15-16H,1-3,7,10-14,17H2,(H,27,31)(H,28,34)