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

Systemtic Name: S-[(1-methyl-1,2,3,4-tetrazol-5-yl)] N-[3-(1-adamantylcarbonylamino)phenyl]carbamothioate Openeye Name: S-(1-methyltetrazol-5-yl) N-[3-(adamantane-1-carbonylamino)phenyl]carbamothioate CAS Name: N-[3-[[1-adamantyl(oxo)methyl]amino]phenyl]carbamothioic acid S-[(1-methyl-5-tetrazolyl)] ester IUPAC Name: S-(1-methyltetrazol-5-yl) N-[3-(adamantane-1-carbonylamino)phenyl]carbamothioate Traditional Name: N-[3-(adamantane-1-carbonylamino)phenyl]thiocarbamic acid S-(1-methyltetrazol-5-yl) ester Formula: C20H24N6O2S MolecularWeight: 412.50856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=NN=N1)SC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H24N6O2S/c1-26-18(23-24-25-26)29-19(28)22-16-4-2-3-15(8-16)21-17(27)20-9-12-5-13(10-20)7-14(6-12)11-20/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,21,27)(H,22,28)