N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]butanamide CAS Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiazolyl]-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(benzylthio)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]butyramide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)NC(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)NC(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3S2/c25-21(7-4-12-28-14-16-5-2-1-3-6-16)24-22-23-18(15-29-22)17-8-9-19-20(13-17)27-11-10-26-19/h1-3,5-6,8-9,13,15H,4,7,10-12,14H2,(H,23,24,25)