1-(1,3-benzodioxol-5-yl)-N-[5-[(2-cyanophenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[5-[(2-cyanophenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[5-[(2-cyanophenyl)methyl]thiazol-2-yl]cyclopropanecarboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[5-[(2-cyanophenyl)methyl]-2-thiazolyl]-1-cyclopropanecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[5-[(2-cyanophenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-[5-(2-cyanobenzyl)thiazol-2-yl]cyclopropanecarboxamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC3=C(C=C2)OCO3)C(=O)NC4=NC=C(S4)CC5=CC=CC=C5C#N

Isomeric SMILES

C1CC1(C2=CC3=C(C=C2)OCO3)C(=O)NC4=NC=C(S4)CC5=CC=CC=C5C#N

InChI

InChI=1S/C22H17N3O3S/c23-11-15-4-2-1-3-14(15)9-17-12-24-21(29-17)25-20(26)22(7-8-22)16-5-6-18-19(10-16)28-13-27-18/h1-6,10,12H,7-9,13H2,(H,24,25,26)