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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]butyramide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC

InChI

InChI=1S/C21H21N3O4S/c1-3-18(19(25)22-13-9-10-16-17(11-13)28-12-27-16)29-21-23-15-8-6-5-7-14(15)20(26)24(21)4-2/h5-11,18H,3-4,12H2,1-2H3,(H,22,25)