S-[(1-phenyl-1,2,3,4-tetrazol-5-yl)] N-[(2-benzamidooxy-5-nitro-phenyl)methyl]-N-propan-2-yl-carbamothioate

Systemtic Name: S-[(1-phenyl-1,2,3,4-tetrazol-5-yl)] N-[(2-benzamidooxy-5-nitro-phenyl)methyl]-N-propan-2-yl-carbamothioate Openeye Name: S-(1-phenyltetrazol-5-yl) N-[(2-benzamidooxy-5-nitro-phenyl)methyl]-N-isopropyl-carbamothioate CAS Name: N-[(2-benzamidooxy-5-nitrophenyl)methyl]-N-propan-2-ylcarbamothioic acid S-[(1-phenyl-5-tetrazolyl)] ester IUPAC Name: S-(1-phenyltetrazol-5-yl) N-[(2-benzamidooxy-5-nitrophenyl)methyl]-N-propan-2-ylcarbamothioate Traditional Name: N-(2-benzamidooxy-5-nitro-benzyl)-N-isopropyl-thiocarbamic acid S-(1-phenyltetrazol-5-yl) ester Formula: C25H23N7O5S MolecularWeight: 533.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=C(C=CC(=C1)[N+](=O)[O-])ONC(=O)C2=CC=CC=C2)C(=O)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C)N(CC1=C(C=CC(=C1)[N+](=O)[O-])ONC(=O)C2=CC=CC=C2)C(=O)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C25H23N7O5S/c1-17(2)30(25(34)38-24-26-28-29-31(24)20-11-7-4-8-12-20)16-19-15-21(32(35)36)13-14-22(19)37-27-23(33)18-9-5-3-6-10-18/h3-15,17H,16H2,1-2H3,(H,27,33)