N-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[2-(4-methyl-2-phenyl-1-piperazinyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(4-methyl-2-phenyl-piperazino)ethyl]hexanamide Formula: C27H35N5O2S MolecularWeight: 493.6641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)CCNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)CCNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C27H35N5O2S/c1-30-18-19-31(24(20-30)21-10-4-2-5-11-21)17-15-28-25(33)14-6-3-9-16-32-26(34)22-12-7-8-13-23(22)29-27(32)35/h2,4-5,7-8,10-13,24H,3,6,9,14-20H2,1H3,(H,28,33)(H,29,35)