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

Systemtic Name: 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-phenylbutyl)ethanamide Openeye Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-phenylbutyl)acetamide CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-(1-phenylbutyl)acetamide IUPAC Name: 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-phenylbutyl)acetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-phenylbutyl)acetamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O2S/c1-2-8-23(20-9-4-3-5-10-20)29-25(32)18-34-27-30-24-12-7-6-11-22(24)26(33)31(27)21-15-13-19(17-28)14-16-21/h3-7,9-16,23H,2,8,18H2,1H3,(H,29,32)