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

Systemtic Name: N-[(3-phenylmethoxyphenyl)carbamothioyl]-1-(phenylmethyl)-1,2,3,4-tetrazole-5-carboxamide Openeye Name: 1-benzyl-N-[(3-benzyloxyphenyl)carbamothioyl]tetrazole-5-carboxamide CAS Name: N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-1-(phenylmethyl)-5-tetrazolecarboxamide IUPAC Name: 1-benzyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]tetrazole-5-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-1-benzyl-tetrazole-5-carboxamide Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=N2)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H20N6O2S/c30-22(21-26-27-28-29(21)15-17-8-3-1-4-9-17)25-23(32)24-19-12-7-13-20(14-19)31-16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H2,24,25,30,32)