1-(1,3-benzodioxol-5-yl)-3-[2-oxidanylidene-3-(thiophen-2-ylmethyl)quinazolin-4-yl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-oxidanylidene-3-(thiophen-2-ylmethyl)quinazolin-4-yl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-oxo-3-(2-thienylmethyl)quinazolin-4-yl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-oxo-3-(thiophen-2-ylmethyl)-4-quinazolinyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-keto-3-(2-thenyl)quinazolin-4-yl]urea Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=C4C=CC=CC4=NC(=O)N3CC5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=C4C=CC=CC4=NC(=O)N3CC5=CC=CS5

InChI

InChI=1S/C21H16N4O4S/c26-20(22-13-7-8-17-18(10-13)29-12-28-17)24-19-15-5-1-2-6-16(15)23-21(27)25(19)11-14-4-3-9-30-14/h1-10H,11-12H2,(H2,22,24,26)