3-[5-phenylazanyl-2-(propan-2-ylamino)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[5-phenylazanyl-2-(propan-2-ylamino)phenyl]sulfanylpropanoic acid Openeye Name: 3-[5-anilino-2-(isopropylamino)phenyl]sulfanylpropanoic acid CAS Name: 3-[[5-anilino-2-(propan-2-ylamino)phenyl]thio]propanoic acid IUPAC Name: 3-[5-anilino-2-(propan-2-ylamino)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[5-anilino-2-(isopropylamino)phenyl]thio]propionic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SCCC(=O)O

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SCCC(=O)O

InChI

InChI=1S/C18H22N2O2S/c1-13(2)19-16-9-8-15(20-14-6-4-3-5-7-14)12-17(16)23-11-10-18(21)22/h3-9,12-13,19-20H,10-11H2,1-2H3,(H,21,22)