4-butoxy-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C16H22N6O2S MolecularWeight: 362.44988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NN(N=N2)CCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NN(N=N2)CCC

InChI

InChI=1S/C16H22N6O2S/c1-3-5-11-24-13-8-6-12(7-9-13)14(23)17-16(25)18-15-19-21-22(20-15)10-4-2/h6-9H,3-5,10-11H2,1-2H3,(H2,17,18,20,23,25)