2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinazolin-4-olate

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinazolin-4-olate Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinazolin-4-olate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-5,6,7,8-tetrahydroquinazolin-4-olate IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinazolin-4-olate Traditional Name: 2-[[2-keto-2-(piperonylamino)ethyl]thio]-5,6,7,8-tetrahydroquinazolin-4-olate Formula: C18H18N3O4S- MolecularWeight: 372.41822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)[O-]

InChI

InChI=1S/C18H19N3O4S/c22-16(19-8-11-5-6-14-15(7-11)25-10-24-14)9-26-18-20-13-4-2-1-3-12(13)17(23)21-18/h5-7H,1-4,8-10H2,(H,19,22)(H,20,21,23)/p-1