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

Systemtic Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]-3-(p-tolylsulfanyl)propanamide CAS Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiazolyl]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]-3-(p-tolylthio)propionamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H20N2O3S2/c1-14-2-5-16(6-3-14)27-11-8-20(24)23-21-22-17(13-28-21)15-4-7-18-19(12-15)26-10-9-25-18/h2-7,12-13H,8-11H2,1H3,(H,22,23,24)