(2S)-3-(3-chlorophenyl)-N1-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)propane-1,2-diamine

Systemtic Name: (2S)-3-(3-chlorophenyl)-N1-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)propane-1,2-diamine Openeye Name: (2S)-3-(3-chlorophenyl)-N1-[5-(6-isoquinolyl)thiazol-2-yl]propane-1,2-diamine CAS Name: (2S)-3-(3-chlorophenyl)-N1-[5-(6-isoquinolinyl)-2-thiazolyl]propane-1,2-diamine IUPAC Name: (2S)-3-(3-chlorophenyl)-1-N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)propane-1,2-diamine Traditional Name: [(2S)-2-amino-3-(3-chlorophenyl)propyl]-[5-(6-isoquinolyl)thiazol-2-yl]amine Formula: C21H19ClN4S MolecularWeight: 394.92036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CC(CNC2=NC=C(S2)C3=CC4=C(C=C3)C=NC=C4)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C[C@@H](CNC2=NC=C(S2)C3=CC4=C(C=C3)C=NC=C4)N

InChI

InChI=1S/C21H19ClN4S/c22-18-3-1-2-14(8-18)9-19(23)12-25-21-26-13-20(27-21)16-4-5-17-11-24-7-6-15(17)10-16/h1-8,10-11,13,19H,9,12,23H2,(H,25,26)/t19-/m0/s1