methyl 4-[(2-adamantylideneamino)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(2-adamantylideneamino)carbamothioylamino]benzoate Openeye Name: methyl 4-[(2-adamantylideneamino)carbamothioylamino]benzoate CAS Name: 4-[[[2-(2-adamantylidene)hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-adamantylideneamino)carbamothioylamino]benzoate Traditional Name: 4-[(2-adamantylideneamino)thiocarbamoylamino]benzoic acid methyl ester Formula: C19H23N3O2S MolecularWeight: 357.46982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3CC4CC(C3)CC2C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C19H23N3O2S/c1-24-18(23)13-2-4-16(5-3-13)20-19(25)22-21-17-14-7-11-6-12(9-14)10-15(17)8-11/h2-5,11-12,14-15H,6-10H2,1H3,(H2,20,22,25)