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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4S/c1-3-24-20(26)15-6-4-5-7-16(15)23-21(24)29-13(2)19(25)22-11-14-8-9-17-18(10-14)28-12-27-17/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)/t13-/m1/s1