5-[[2,3-bis(oxidanyl)propylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-[[2,3-bis(oxidanyl)propylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-[(2,3-dihydroxypropylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-[(2,3-dihydroxypropylamino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-[(2,3-dihydroxypropylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-[(glycerylamino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)CNCC(CO)O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=C(C=C3)CNCC(CO)O)C(=O)N

InChI

InChI=1S/C19H21N3O3S/c20-19(25)17-18(26-14-4-2-1-3-5-14)15-8-12(6-7-16(15)22-17)9-21-10-13(24)11-23/h1-8,13,21-24H,9-11H2,(H2,20,25)