N-(2-cyanoethyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methoxyphenyl)acetamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4OC)C

InChI

InChI=1S/C28H26N4O3S/c1-19-15-20(2)17-21(16-19)32-27(34)22-9-4-5-10-23(22)30-28(32)36-18-26(33)31(14-8-13-29)24-11-6-7-12-25(24)35-3/h4-7,9-12,15-17H,8,14,18H2,1-3H3