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

Systemtic Name: 5-bromanyl-N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C15H19BrN6O2S MolecularWeight: 427.31936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN6O2S/c1-4-5-6-22-20-14(19-21-22)18-15(25)17-13(23)11-8-10(16)7-9(2)12(11)24-3/h7-8H,4-6H2,1-3H3,(H2,17,18,20,23,25)