(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CCC(C)C

InChI

InChI=1S/C24H27N3O4S/c1-15(2)10-11-27-23(29)18-6-4-5-7-19(18)26-24(27)32-16(3)22(28)25-13-17-8-9-20-21(12-17)31-14-30-20/h4-9,12,15-16H,10-11,13-14H2,1-3H3,(H,25,28)/t16-/m1/s1