2-[[4-[ethyl-[(4-sulfanylidene-1H-quinazolin-6-yl)methyl]amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[ethyl-[(4-sulfanylidene-1H-quinazolin-6-yl)methyl]amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[ethyl-[(4-thioxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[ethyl-[(4-sulfanylidene-1H-quinazolin-6-yl)methyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[ethyl-[(4-sulfanylidene-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[ethyl-[(4-thioxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]glutaric acid Formula: C23H24N4O5S MolecularWeight: 468.52546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)NC=NC2=S)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)NC=NC2=S)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H24N4O5S/c1-2-27(12-14-3-8-18-17(11-14)22(33)25-13-24-18)16-6-4-15(5-7-16)21(30)26-19(23(31)32)9-10-20(28)29/h3-8,11,13,19H,2,9-10,12H2,1H3,(H,26,30)(H,28,29)(H,31,32)(H,24,25,33)