3,5-bis(bromanyl)-N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 3,5-bis(bromanyl)-N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-2-methoxy-benzamide Formula: C14H16Br2N6O2S MolecularWeight: 492.18884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br

InChI

InChI=1S/C14H16Br2N6O2S/c1-3-4-5-22-20-13(19-21-22)18-14(25)17-12(23)9-6-8(15)7-10(16)11(9)24-2/h6-7H,3-5H2,1-2H3,(H2,17,18,20,23,25)