1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylsulfanylphenyl)methyl]thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylsulfanylphenyl)methyl]thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylsulfanylphenyl)methyl]thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[4-(methylthio)phenyl]methyl]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylsulfanylphenyl)methyl]thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(methylthio)benzyl]thiourea Formula: C17H18N2O2S2 MolecularWeight: 346.46702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H18N2O2S2/c1-23-14-5-2-12(3-6-14)11-18-17(22)19-13-4-7-15-16(10-13)21-9-8-20-15/h2-7,10H,8-9,11H2,1H3,(H2,18,19,22)