4-(2-methyl-3-phenylsulfanyl-1H-indol-7-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(2-methyl-3-phenylsulfanyl-1H-indol-7-yl)piperazine-1-carboxylic acid Openeye Name: 4-(2-methyl-3-phenylsulfanyl-1H-indol-7-yl)piperazine-1-carboxylic acid CAS Name: 4-[2-methyl-3-(phenylthio)-1H-indol-7-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-(2-methyl-3-phenylsulfanyl-1H-indol-7-yl)piperazine-1-carboxylic acid Traditional Name: 4-[2-methyl-3-(phenylthio)-1H-indol-7-yl]piperazine-1-carboxylic acid Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C(=CC=C2)N3CCN(CC3)C(=O)O)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1)C(=CC=C2)N3CCN(CC3)C(=O)O)SC4=CC=CC=C4

InChI

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