1-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)-3-phenylazanyl-propan-1-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)-3-phenylazanyl-propan-1-one Openeye Name: 3-anilino-1-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)propan-1-one CAS Name: 3-anilino-1-(1,3-benzodioxol-5-yl)-3-[4-(methylthio)phenyl]-1-propanone IUPAC Name: 3-anilino-1-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)propan-1-one Traditional Name: 3-anilino-1-(1,3-benzodioxol-5-yl)-3-[4-(methylthio)phenyl]propan-1-one Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(CC(=O)C2=CC3=C(C=C2)OCO3)NC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C(CC(=O)C2=CC3=C(C=C2)OCO3)NC4=CC=CC=C4

InChI

InChI=1S/C23H21NO3S/c1-28-19-10-7-16(8-11-19)20(24-18-5-3-2-4-6-18)14-21(25)17-9-12-22-23(13-17)27-15-26-22/h2-13,20,24H,14-15H2,1H3