N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(2-propyltetrazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(2-propyltetrazol-5-yl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(2-propyltetrazol-5-yl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H16N6O3S/c1-2-5-20-18-13(17-19-20)16-14(24)15-12(21)9-3-4-10-11(8-9)23-7-6-22-10/h3-4,8H,2,5-7H2,1H3,(H2,15,16,18,21,24)