4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-2-(2,3-dimethylphenyl)-3H-isoindol-1-one dihydrochloride

Systemtic Name: 4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-2-(2,3-dimethylphenyl)-3H-isoindol-1-one dihydrochloride Openeye Name: 4-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-2-(2,3-dimethylphenyl)isoindolin-1-one dihydrochloride CAS Name: 4-[[(2R)-2-amino-3-mercaptopropyl]amino]-2-(2,3-dimethylphenyl)-3H-isoindol-1-one dihydrochloride IUPAC Name: 4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-(2,3-dimethylphenyl)-3H-isoindol-1-one dihydrochloride Traditional Name: 4-[[(2R)-2-amino-3-mercapto-propyl]amino]-2-(2,3-dimethylphenyl)isoindolin-1-one dihydrochloride Formula: C19H25Cl2N3OS MolecularWeight: 414.3923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC3=C(C2=O)C=CC=C3NCC(CS)N)C.Cl.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC3=C(C2=O)C=CC=C3NC[C@H](CS)N)C.Cl.Cl

InChI

InChI=1S/C19H23N3OS.2ClH/c1-12-5-3-8-18(13(12)2)22-10-16-15(19(22)23)6-4-7-17(16)21-9-14(20)11-24;;/h3-8,14,21,24H,9-11,20H2,1-2H3;2*1H/t14-;;/m1../s1