2-[4-oxidanylidene-3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-oxo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-oxo-3-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-oxo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-keto-3-[4-keto-4-(4-phenylpiperazino)butyl]quinazolin-2-yl]thio]acetamide Formula: C31H33N5O3S MolecularWeight: 555.69042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C31H33N5O3S/c37-28(32-22-24-10-3-1-4-11-24)23-40-31-33-27-15-8-7-14-26(27)30(39)36(31)17-9-16-29(38)35-20-18-34(19-21-35)25-12-5-2-6-13-25/h1-8,10-15H,9,16-23H2,(H,32,37)