S-[6-(1H-indol-2-ylcarbonylamino)hexyl] 2-methylpropanethioate

Systemtic Name: S-[6-(1H-indol-2-ylcarbonylamino)hexyl] 2-methylpropanethioate Openeye Name: S-[6-(1H-indole-2-carbonylamino)hexyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[6-[[1H-indol-2-yl(oxo)methyl]amino]hexyl] ester IUPAC Name: S-[6-(1H-indole-2-carbonylamino)hexyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[6-(1H-indole-2-carbonylamino)hexyl] ester Formula: C19H26N2O2S MolecularWeight: 346.48694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCCNC(=O)C1=CC2=CC=CC=C2N1

Isomeric SMILES

CC(C)C(=O)SCCCCCCNC(=O)C1=CC2=CC=CC=C2N1

InChI

InChI=1S/C19H26N2O2S/c1-14(2)19(23)24-12-8-4-3-7-11-20-18(22)17-13-15-9-5-6-10-16(15)21-17/h5-6,9-10,13-14,21H,3-4,7-8,11-12H2,1-2H3,(H,20,22)