N-aminocarbonyl-3-methyl-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-aminocarbonyl-3-methyl-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-carbamoyl-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-methyl-butanamide CAS Name: N-carbamoyl-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide Traditional Name: N-carbamoyl-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-3-methyl-butyramide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC2=CC=CC=C2C(=O)N1CCCO

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NC2=CC=CC=C2C(=O)N1CCCO

InChI

InChI=1S/C17H22N4O4S/c1-10(2)13(14(23)20-16(18)25)26-17-19-12-7-4-3-6-11(12)15(24)21(17)8-5-9-22/h3-4,6-7,10,13,22H,5,8-9H2,1-2H3,(H3,18,20,23,25)