1-(1,3-benzodioxol-5-yl)-3-[(3,5-dimethylphenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(3,5-dimethylphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(3,5-dimethylphenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(3,5-dimethylphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(3,5-dimethylphenyl)methyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylbenzyl)thiourea Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNC(=S)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNC(=S)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H18N2O2S/c1-11-5-12(2)7-13(6-11)9-18-17(22)19-14-3-4-15-16(8-14)21-10-20-15/h3-8H,9-10H2,1-2H3,(H2,18,19,22)