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

Systemtic Name: N-(2-chlorophenyl)-2-[4-oxidanylidene-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-chlorophenyl)-2-[[4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chlorophenyl)-2-[[4-keto-3-[3-keto-3-(4-phenylpiperazino)propyl]quinazolin-2-yl]thio]acetamide Formula: C29H28ClN5O3S MolecularWeight: 562.08232

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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)NC5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NC5=CC=CC=C5Cl

InChI

InChI=1S/C29H28ClN5O3S/c30-23-11-5-7-13-25(23)31-26(36)20-39-29-32-24-12-6-4-10-22(24)28(38)35(29)15-14-27(37)34-18-16-33(17-19-34)21-8-2-1-3-9-21/h1-13H,14-20H2,(H,31,36)