tert-butyl 5-(methylcarbamothioylamino)indole-1-carboxylate

Systemtic Name: tert-butyl 5-(methylcarbamothioylamino)indole-1-carboxylate Openeye Name: tert-butyl 5-(methylcarbamothioylamino)indole-1-carboxylate CAS Name: 5-[[methylamino(sulfanylidene)methyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(methylcarbamothioylamino)indole-1-carboxylate Traditional Name: 5-(methylthiocarbamoylamino)indole-1-carboxylic acid tert-butyl ester Formula: C15H19N3O2S MolecularWeight: 305.39526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)NC(=S)NC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)NC(=S)NC

InChI

InChI=1S/C15H19N3O2S/c1-15(2,3)20-14(19)18-8-7-10-9-11(5-6-12(10)18)17-13(21)16-4/h5-9H,1-4H3,(H2,16,17,21)