(2S)-N1-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propane-1,2-diamine

Systemtic Name: (2S)-N1-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propane-1,2-diamine Openeye Name: (2S)-N1-[5-(6-isoquinolyl)-1,3,4-thiadiazol-2-yl]-3-(m-tolyl)propane-1,2-diamine CAS Name: (2S)-N1-[5-(6-isoquinolinyl)-1,3,4-thiadiazol-2-yl]-3-(3-methylphenyl)propane-1,2-diamine IUPAC Name: (2S)-1-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propane-1,2-diamine Traditional Name: [(2S)-2-amino-3-(m-tolyl)propyl]-[5-(6-isoquinolyl)-1,3,4-thiadiazol-2-yl]amine Formula: C21H21N5S MolecularWeight: 375.48994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(CNC2=NN=C(S2)C3=CC4=C(C=C3)C=NC=C4)N

Isomeric SMILES

CC1=CC(=CC=C1)C[C@@H](CNC2=NN=C(S2)C3=CC4=C(C=C3)C=NC=C4)N

InChI

InChI=1S/C21H21N5S/c1-14-3-2-4-15(9-14)10-19(22)13-24-21-26-25-20(27-21)17-5-6-18-12-23-8-7-16(18)11-17/h2-9,11-12,19H,10,13,22H2,1H3,(H,24,26)/t19-/m0/s1