4-(3-phenylsulfanyl-1H-indol-5-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(3-phenylsulfanyl-1H-indol-5-yl)piperazine-1-carboxylic acid Openeye Name: 4-(3-phenylsulfanyl-1H-indol-5-yl)piperazine-1-carboxylic acid CAS Name: 4-[3-(phenylthio)-1H-indol-5-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-(3-phenylsulfanyl-1H-indol-5-yl)piperazine-1-carboxylic acid Traditional Name: 4-[3-(phenylthio)-1H-indol-5-yl]piperazine-1-carboxylic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)NC=C3SC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)NC=C3SC4=CC=CC=C4)C(=O)O

InChI

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