2-[2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[[2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[[2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[[2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N5O3S/c1-17-6-5-7-18(2)25(17)31-23(33)15-29-24(34)16-36-27-30-22-9-4-3-8-21(22)26(35)32(27)20-12-10-19(14-28)11-13-20/h3-13H,15-16H2,1-2H3,(H,29,34)(H,31,33)