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

Systemtic Name: 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-[3-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-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)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N)N5CCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N)N5CCCC5

InChI

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