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

Systemtic Name: 2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(m-tolyl)quinazolin-2-yl]thio]-N-(2-thenyl)acetamide Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

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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)NCC4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H18ClN3O2S2/c1-14-4-2-5-16(10-14)26-21(28)18-8-7-15(23)11-19(18)25-22(26)30-13-20(27)24-12-17-6-3-9-29-17/h2-11H,12-13H2,1H3,(H,24,27)