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

Systemtic Name: 4-(3-phenylsulfanyl-1H-indol-7-yl)piperazine-1-carboxylic acid Openeye Name: 4-(3-phenylsulfanyl-1H-indol-7-yl)piperazine-1-carboxylic acid CAS Name: 4-[3-(phenylthio)-1H-indol-7-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-(3-phenylsulfanyl-1H-indol-7-yl)piperazine-1-carboxylic acid Traditional Name: 4-[3-(phenylthio)-1H-indol-7-yl]piperazine-1-carboxylic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2NC=C3SC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2NC=C3SC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C19H19N3O2S/c23-19(24)22-11-9-21(10-12-22)16-8-4-7-15-17(13-20-18(15)16)25-14-5-2-1-3-6-14/h1-8,13,20H,9-12H2,(H,23,24)