4-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-(3-bromophenyl)-1,2-thiazole-3-carboxamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-(3-bromophenyl)-1,2-thiazole-3-carboxamide Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-(3-bromophenyl)isothiazole-3-carboxamide CAS Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-(3-bromophenyl)-3-isothiazolecarboxamide IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-(3-bromophenyl)-1,2-thiazole-3-carboxamide Traditional Name: N-(3-bromophenyl)-4-(homopiperonylamino)isothiazole-3-carboxamide Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=CSN=C3C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=CSN=C3C(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H16BrN3O3S/c20-13-2-1-3-14(9-13)22-19(24)18-15(10-27-23-18)21-7-6-12-4-5-16-17(8-12)26-11-25-16/h1-5,8-10,21H,6-7,11H2,(H,22,24)