1-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxidanylidene-1H-quinazolin-6-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxidanylidene-1H-quinazolin-6-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxo-1H-quinazolin-6-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxo-1H-quinazolin-6-yl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxo-1H-quinazolin-6-yl)thiourea Traditional Name: 1-(4-keto-1H-quinazolin-6-yl)-3-piperonyl-thiourea Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC4=C(C=C3)NC=NC4=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC4=C(C=C3)NC=NC4=O

InChI

InChI=1S/C17H14N4O3S/c22-16-12-6-11(2-3-13(12)19-8-20-16)21-17(25)18-7-10-1-4-14-15(5-10)24-9-23-14/h1-6,8H,7,9H2,(H2,18,21,25)(H,19,20,22)