tert-butyl 3-[4-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]butyl]nonanoate

Systemtic Name: tert-butyl 3-[4-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indol-2-yl]carbonylamino]butyl]nonanoate Openeye Name: tert-butyl 3-[4-[[5-(methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]butyl]nonanoate CAS Name: 3-[4-[[[5-[imino-(methylthio)methyl]-1H-indol-2-yl]-oxomethyl]amino]butyl]nonanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[[5-(C-methylsulfanylcarbonimidoyl)-1H-indole-2-carbonyl]amino]butyl]nonanoate Traditional Name: 3-[4-[[5-[(methylthio)carbonimidoyl]-1H-indole-2-carbonyl]amino]butyl]pelargonic acid tert-butyl ester Formula: C28H43N3O3S MolecularWeight: 501.72432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)SC)CC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C(=N)SC)CC(=O)OC(C)(C)C

InChI

InChI=1S/C28H43N3O3S/c1-6-7-8-9-12-20(17-25(32)34-28(2,3)4)13-10-11-16-30-27(33)24-19-22-18-21(26(29)35-5)14-15-23(22)31-24/h14-15,18-20,29,31H,6-13,16-17H2,1-5H3,(H,30,33)