2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methyl-4-pyrrolidino-phenyl)acetamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H25N5O2S/c1-19-16-22(32-14-4-5-15-32)12-13-24(19)30-26(34)18-36-28-31-25-7-3-2-6-23(25)27(35)33(28)21-10-8-20(17-29)9-11-21/h2-3,6-13,16H,4-5,14-15,18H2,1H3,(H,30,34)