N-(1,3-benzodioxol-5-ylmethyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[5-methyl-4-(phenylsulfanylmethyl)oxazol-2-yl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[5-methyl-4-[(phenylthio)methyl]-2-oxazolyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide Traditional Name: 4-[5-methyl-4-[(phenylthio)methyl]oxazol-2-yl]-N-piperonyl-benzamide Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)CSC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)CSC5=CC=CC=C5

InChI

InChI=1S/C26H22N2O4S/c1-17-22(15-33-21-5-3-2-4-6-21)28-26(32-17)20-10-8-19(9-11-20)25(29)27-14-18-7-12-23-24(13-18)31-16-30-23/h2-13H,14-16H2,1H3,(H,27,29)