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

Systemtic Name: N-aminocarbonyl-2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-carbamoyl-2-[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-carbamoyl-2-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-carbamoyl-2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-carbamoyl-2-[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)N

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)N

InChI

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