N-[(4-pentoxyphenyl)carbamothioyl]-1-(phenylmethyl)-1,2,3,4-tetrazole-5-carboxamide

Systemtic Name: N-[(4-pentoxyphenyl)carbamothioyl]-1-(phenylmethyl)-1,2,3,4-tetrazole-5-carboxamide Openeye Name: 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide CAS Name: N-[(4-pentoxyanilino)-sulfanylidenemethyl]-1-(phenylmethyl)-5-tetrazolecarboxamide IUPAC Name: 1-benzyl-N-[(4-pentoxyphenyl)carbamothioyl]tetrazole-5-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-1-benzyl-tetrazole-5-carboxamide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=NN=NN2CC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=NN=NN2CC3=CC=CC=C3

InChI

InChI=1S/C21H24N6O2S/c1-2-3-7-14-29-18-12-10-17(11-13-18)22-21(30)23-20(28)19-24-25-26-27(19)15-16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14-15H2,1H3,(H2,22,23,28,30)