N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-phenylthiazol-4-yl)methylsulfanyl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-phenyl-4-thiazolyl)methylthio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-phenylthiazol-4-yl)methylthio]propionamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CCSCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CCSCC3=CSC(=N3)C4=CC=CC=C4

InChI

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