S-(4-phenethylpiperazin-1-yl) 5-methoxy-1-methyl-indole-2-carbothioate

Systemtic Name: S-(4-phenethylpiperazin-1-yl) 5-methoxy-1-methyl-indole-2-carbothioate Openeye Name: S-(4-phenethylpiperazin-1-yl) 5-methoxy-1-methyl-indole-2-carbothioate CAS Name: 5-methoxy-1-methyl-2-indolecarbothioic acid S-(4-phenethyl-1-piperazinyl) ester IUPAC Name: S-(4-phenethylpiperazin-1-yl) 5-methoxy-1-methylindole-2-carbothioate Traditional Name: 5-methoxy-1-methyl-indole-2-carbothioic acid S-(4-phenethylpiperazino) ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C=C1C(=O)SN3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C=C1C(=O)SN3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c1-24-21-9-8-20(28-2)16-19(21)17-22(24)23(27)29-26-14-12-25(13-15-26)11-10-18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3