3-[4-(1,3-benzodioxol-5-yl)-2-(4-imidazol-1-ylphenyl)imino-1,3-thiazol-3-yl]propan-1-amine

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(4-imidazol-1-ylphenyl)imino-1,3-thiazol-3-yl]propan-1-amine Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(4-imidazol-1-ylphenyl)imino-thiazol-3-yl]propan-1-amine CAS Name: 3-[4-(1,3-benzodioxol-5-yl)-2-[4-(1-imidazolyl)phenyl]imino-3-thiazolyl]-1-propanamine IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(4-imidazol-1-ylphenyl)imino-1,3-thiazol-3-yl]propan-1-amine Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(4-imidazol-1-ylphenyl)imino-4-thiazolin-3-yl]propylamine Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=NC4=CC=C(C=C4)N5C=CN=C5)N3CCCN

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=NC4=CC=C(C=C4)N5C=CN=C5)N3CCCN

InChI

InChI=1S/C22H21N5O2S/c23-8-1-10-27-19(16-2-7-20-21(12-16)29-15-28-20)13-30-22(27)25-17-3-5-18(6-4-17)26-11-9-24-14-26/h2-7,9,11-14H,1,8,10,15,23H2