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

Systemtic Name: 5-[[[2-methyl-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-[[[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-[[(2-hydroxy-1-methyl-1-methylol-ethyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H23N3O3S/c1-20(11-24,12-25)22-10-13-7-8-16-15(9-13)18(17(23-16)19(21)26)27-14-5-3-2-4-6-14/h2-9,22-25H,10-12H2,1H3,(H2,21,26)