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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)thiourea Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H16N2O2S/c1-10-3-4-12(7-11(10)2)17-16(21)18-13-5-6-14-15(8-13)20-9-19-14/h3-8H,9H2,1-2H3,(H2,17,18,21)