N-(1,3-benzodioxol-5-yl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]propionamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O4S/c1-11-4-6-15-14(8-11)19(25)23(3)20(22-15)28-12(2)18(24)21-13-5-7-16-17(9-13)27-10-26-16/h4-9,12H,10H2,1-3H3,(H,21,24)