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

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(isopropylcarbamoyl)acetamide CAS Name: 2-[[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-[[7-chloro-3-[(2S)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]-N-(isopropylcarbamoyl)acetamide Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC(C)O

Isomeric SMILES

C[C@@H](CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)NC(C)C)O

InChI

InChI=1S/C17H21ClN4O4S/c1-9(2)19-16(26)21-14(24)8-27-17-20-13-6-11(18)4-5-12(13)15(25)22(17)7-10(3)23/h4-6,9-10,23H,7-8H2,1-3H3,(H2,19,21,24,26)/t10-/m0/s1