N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Traditional Name: 5-keto-2-methyl-N-piperonyl-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Formula: C19H14N4O4S MolecularWeight: 394.40386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)N=C2S1

Isomeric SMILES

CC1=NN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)N=C2S1

InChI

InChI=1S/C19H14N4O4S/c1-10-22-23-18(25)13-4-3-12(7-14(13)21-19(23)28-10)17(24)20-8-11-2-5-15-16(6-11)27-9-26-15/h2-7H,8-9H2,1H3,(H,20,24)