N-(furan-2-ylmethyl)-4-[4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]butanamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]butanamide Openeye Name: N-(2-furylmethyl)-4-[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]butanamide CAS Name: N-(2-furanylmethyl)-4-[4-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-quinazolinyl]butanamide IUPAC Name: N-(furan-2-ylmethyl)-4-[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-3-yl]butanamide Traditional Name: N-(2-furfuryl)-4-[4-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]quinazolin-3-yl]butyramide Formula: C29H31N5O4S MolecularWeight: 545.65254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCC(=O)NCC5=CC=CO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCC(=O)NCC5=CC=CO5

InChI

InChI=1S/C29H31N5O4S/c35-26(30-20-23-10-7-19-38-23)13-6-14-34-28(37)24-11-4-5-12-25(24)31-29(34)39-21-27(36)33-17-15-32(16-18-33)22-8-2-1-3-9-22/h1-5,7-12,19H,6,13-18,20-21H2,(H,30,35)