3-[4-(1,3-benzodioxol-5-yl)-2-(1H-indol-5-ylimino)-1,3-thiazol-3-yl]propan-1-amine

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(1H-indol-5-ylimino)-1,3-thiazol-3-yl]propan-1-amine Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(1H-indol-5-ylimino)thiazol-3-yl]propan-1-amine CAS Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(1H-indol-5-ylimino)-3-thiazolyl]-1-propanamine IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(1H-indol-5-ylimino)-1,3-thiazol-3-yl]propan-1-amine Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)-2-(1H-indol-5-ylimino)-4-thiazolin-3-yl]propylamine Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=NC4=CC5=C(C=C4)NC=C5)N3CCCN

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=NC4=CC5=C(C=C4)NC=C5)N3CCCN

InChI

InChI=1S/C21H20N4O2S/c22-7-1-9-25-18(15-2-5-19-20(11-15)27-13-26-19)12-28-21(25)24-16-3-4-17-14(10-16)6-8-23-17/h2-6,8,10-12,23H,1,7,9,13,22H2