4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-2-(phenylmethyl)-3H-isoindol-1-one hydrochloride

Systemtic Name: 4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-2-(phenylmethyl)-3H-isoindol-1-one hydrochloride Openeye Name: 4-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-2-benzyl-isoindolin-1-one hydrochloride CAS Name: 4-[[(2R)-2-amino-3-mercaptopropyl]amino]-2-(phenylmethyl)-3H-isoindol-1-one hydrochloride IUPAC Name: 4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-benzyl-3H-isoindol-1-one hydrochloride Traditional Name: 4-[[(2R)-2-amino-3-mercapto-propyl]amino]-2-benzyl-isoindolin-1-one hydrochloride Formula: C18H22ClN3OS MolecularWeight: 363.90478

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2NCC(CS)N)C(=O)N1CC3=CC=CC=C3.Cl

Isomeric SMILES

C1C2=C(C=CC=C2NC[C@H](CS)N)C(=O)N1CC3=CC=CC=C3.Cl

InChI

InChI=1S/C18H21N3OS.ClH/c19-14(12-23)9-20-17-8-4-7-15-16(17)11-21(18(15)22)10-13-5-2-1-3-6-13;/h1-8,14,20,23H,9-12,19H2;1H/t14-;/m1./s1