N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)-4-(4-thiazolylmethylthio)benzamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(thiazol-4-ylmethylthio)benzamide Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)SCC5=CSC=N5

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)SCC5=CSC=N5

InChI

InChI=1S/C22H20N2O3S2/c25-21(15-3-6-18(7-4-15)29-13-17-12-28-14-23-17)24-16-5-8-19-20(11-16)27-22(26-19)9-1-2-10-22/h3-8,11-12,14H,1-2,9-10,13H2,(H,24,25)