N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-benzylsulfanyl-butanamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-4-(phenylmethylthio)butanamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-benzylsulfanylbutanamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-(benzylthio)butyramide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3S2/c24-20(7-4-10-27-12-15-5-2-1-3-6-15)23-21-22-17(13-28-21)16-8-9-18-19(11-16)26-14-25-18/h1-3,5-6,8-9,11,13H,4,7,10,12,14H2,(H,22,23,24)