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

Systemtic Name: 2-[4-oxidanylidene-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-keto-3-[3-keto-3-(4-phenylpiperazino)propyl]quinazolin-2-yl]thio]acetamide Formula: C30H31N5O3S MolecularWeight: 541.66384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C30H31N5O3S/c36-27(31-21-23-9-3-1-4-10-23)22-39-30-32-26-14-8-7-13-25(26)29(38)35(30)16-15-28(37)34-19-17-33(18-20-34)24-11-5-2-6-12-24/h1-14H,15-22H2,(H,31,36)