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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-3-(4-keto-1H-quinazolin-2-yl)-N-piperonyl-propionamide Formula: C26H20N4O4S MolecularWeight: 484.5264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC(C3=NC(=O)C4=CC=CC=C4N3)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC(C3=NC(=O)C4=CC=CC=C4N3)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H20N4O4S/c31-23(27-13-15-9-10-20-21(11-15)34-14-33-20)12-17(26-29-19-7-3-4-8-22(19)35-26)24-28-18-6-2-1-5-16(18)25(32)30-24/h1-11,17H,12-14H2,(H,27,31)(H,28,30,32)