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

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C16H22N6O4S MolecularWeight: 394.44868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O4S/c1-5-6-7-22-20-15(19-21-22)18-16(27)17-14(23)10-8-11(24-2)13(26-4)12(9-10)25-3/h8-9H,5-7H2,1-4H3,(H2,17,18,20,23,27)