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

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[7-chloro-3-[(2S)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]-N-(m-tolyl)acetamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C[C@H](C)O

InChI

InChI=1S/C20H20ClN3O3S/c1-12-4-3-5-15(8-12)22-18(26)11-28-20-23-17-9-14(21)6-7-16(17)19(27)24(20)10-13(2)25/h3-9,13,25H,10-11H2,1-2H3,(H,22,26)/t13-/m0/s1