2-[3-(2-acetamidoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-chloranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[3-(2-acetamidoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[3-(2-acetamidoethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[[3-(2-acetamidoethyl)-4-oxo-2-quinazolinyl]thio]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: 2-[[3-(2-acetamidoethyl)-4-keto-quinazolin-2-yl]thio]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCNC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCNC(=O)C)Cl

InChI

InChI=1S/C21H21ClN4O3S/c1-13-7-8-15(11-17(13)22)24-19(28)12-30-21-25-18-6-4-3-5-16(18)20(29)26(21)10-9-23-14(2)27/h3-8,11H,9-10,12H2,1-2H3,(H,23,27)(H,24,28)