2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(isopropylcarbamoyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(m-tolyl)quinazolin-2-yl]thio]-N-(isopropylcarbamoyl)acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC(=O)NC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC(=O)NC(C)C

InChI

InChI=1S/C21H21ClN4O3S/c1-12(2)23-20(29)25-18(27)11-30-21-24-17-10-14(22)7-8-16(17)19(28)26(21)15-6-4-5-13(3)9-15/h4-10,12H,11H2,1-3H3,(H2,23,25,27,29)