methyl 3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole-7-carboxylate

Systemtic Name: methyl 3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole-7-carboxylate Openeye Name: methyl 3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole-7-carboxylate CAS Name: 3-[[2-(1-piperazinyl)phenyl]thio]-1H-indole-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole-7-carboxylate Traditional Name: 3-[(2-piperazinophenyl)thio]-1H-indole-7-carboxylic acid methyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC2=C1NC=C2SC3=CC=CC=C3N4CCNCC4

Isomeric SMILES

COC(=O)C1=CC=CC2=C1NC=C2SC3=CC=CC=C3N4CCNCC4

InChI

InChI=1S/C20H21N3O2S/c1-25-20(24)15-6-4-5-14-18(13-22-19(14)15)26-17-8-3-2-7-16(17)23-11-9-21-10-12-23/h2-8,13,21-22H,9-12H2,1H3