N-(1,3-benzodioxol-5-ylmethyl)-2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[7-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[(7-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C23H24ClN3O4S MolecularWeight: 473.97236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H24ClN3O4S/c1-13(2)11-27-22(29)17-6-5-16(24)9-18(17)26-23(27)32-14(3)21(28)25-10-15-4-7-19-20(8-15)31-12-30-19/h4-9,13-14H,10-12H2,1-3H3,(H,25,28)