tert-butyl 3-[(methylsulfanylcarbothioylamino)methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(methylsulfanylcarbothioylamino)methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(methylsulfanylcarbothioylamino)methyl]indole-1-carboxylate CAS Name: 3-[[[(methylthio)-sulfanylidenemethyl]amino]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(methylsulfanylcarbothioylamino)methyl]indole-1-carboxylate Traditional Name: 3-[[(methylthio)carbothioylamino]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C16H20N2O2S2 MolecularWeight: 336.4722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNC(=S)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNC(=S)SC

InChI

InChI=1S/C16H20N2O2S2/c1-16(2,3)20-15(19)18-10-11(9-17-14(21)22-4)12-7-5-6-8-13(12)18/h5-8,10H,9H2,1-4H3,(H,17,21)