3-(2,3-dimethylphenyl)-4-oxidanylidene-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,3-dimethylphenyl)-4-oxidanylidene-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,3-dimethylphenyl)-4-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-4-oxo-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,3-dimethylphenyl)-4-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-N-[4-(2-ketopyrrolidino)benzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)N5CCCC5=O)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)N5CCCC5=O)NC2=S)C

InChI

InChI=1S/C28H26N4O3S/c1-17-5-3-6-24(18(17)2)32-27(35)22-13-10-20(15-23(22)30-28(32)36)26(34)29-16-19-8-11-21(12-9-19)31-14-4-7-25(31)33/h3,5-6,8-13,15H,4,7,14,16H2,1-2H3,(H,29,34)(H,30,36)