N2-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-4-phenyl-butane-1,2-diamine

Systemtic Name: N2-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-4-phenyl-butane-1,2-diamine Openeye Name: N2-[5-(6-isoquinolyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-butane-1,2-diamine CAS Name: N2-[5-(6-isoquinolinyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutane-1,2-diamine IUPAC Name: 2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)-4-phenylbutane-1,2-diamine Traditional Name: [1-(aminomethyl)-3-phenyl-propyl]-[5-(6-isoquinolyl)-1,3,4-thiadiazol-2-yl]amine Formula: C21H21N5S MolecularWeight: 375.48994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CN)NC2=NN=C(S2)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(CN)NC2=NN=C(S2)C3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C21H21N5S/c22-13-19(9-6-15-4-2-1-3-5-15)24-21-26-25-20(27-21)17-7-8-18-14-23-11-10-16(18)12-17/h1-5,7-8,10-12,14,19H,6,9,13,22H2,(H,24,26)