1-(1,3-benzodioxol-5-ylmethyl)-3-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)thiourea Traditional Name: 1-(2,4-diketo-1H-quinazolin-3-yl)-3-piperonyl-thiourea Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C17H14N4O4S/c22-15-11-3-1-2-4-12(11)19-17(23)21(15)20-16(26)18-8-10-5-6-13-14(7-10)25-9-24-13/h1-7H,8-9H2,(H,19,23)(H2,18,20,26)