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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-piperonyl-propionamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25N3O4S/c1-3-4-11-26-22(28)17-7-5-6-8-18(17)25-23(26)31-15(2)21(27)24-13-16-9-10-19-20(12-16)30-14-29-19/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,27)