1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-piperonyl-thiourea Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

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