6-methoxy-3-(4-methylphenyl)sulfanyl-N-[(4-propoxyphenyl)methyl]-1H-indole-2-carboxamide

Systemtic Name: 6-methoxy-3-(4-methylphenyl)sulfanyl-N-[(4-propoxyphenyl)methyl]-1H-indole-2-carboxamide Openeye Name: 6-methoxy-N-[(4-propoxyphenyl)methyl]-3-(p-tolylsulfanyl)-1H-indole-2-carboxamide CAS Name: 6-methoxy-3-[(4-methylphenyl)thio]-N-[(4-propoxyphenyl)methyl]-1H-indole-2-carboxamide IUPAC Name: 6-methoxy-3-(4-methylphenyl)sulfanyl-N-[(4-propoxyphenyl)methyl]-1H-indole-2-carboxamide Traditional Name: 6-methoxy-N-(4-propoxybenzyl)-3-(p-tolylthio)-1H-indole-2-carboxamide Formula: C27H28N2O3S MolecularWeight: 460.58782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(N2)C=C(C=C3)OC)SC4=CC=C(C=C4)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(N2)C=C(C=C3)OC)SC4=CC=C(C=C4)C

InChI

InChI=1S/C27H28N2O3S/c1-4-15-32-20-9-7-19(8-10-20)17-28-27(30)25-26(33-22-12-5-18(2)6-13-22)23-14-11-21(31-3)16-24(23)29-25/h5-14,16,29H,4,15,17H2,1-3H3,(H,28,30)