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

Systemtic Name: 6-(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(phenylmethyl)piperidin-4-yl]hexanamide Openeye Name: N-(1-benzyl-4-piperidyl)-6-(6-morpholino-4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: 6-[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]-N-[1-(phenylmethyl)-4-piperidinyl]hexanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(1-benzyl-4-piperidyl)-6-(4-keto-6-morpholino-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C30H39N5O3S MolecularWeight: 549.72736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S)CC5=CC=CC=C5

InChI

InChI=1S/C30H39N5O3S/c36-28(31-24-12-15-33(16-13-24)22-23-7-3-1-4-8-23)9-5-2-6-14-35-29(37)26-21-25(34-17-19-38-20-18-34)10-11-27(26)32-30(35)39/h1,3-4,7-8,10-11,21,24H,2,5-6,9,12-20,22H2,(H,31,36)(H,32,39)