N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-isopropoxy-benzamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-4-isopropoxy-benzamide Formula: C16H22N6O2S MolecularWeight: 362.44988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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