1-(1,3-benzodioxol-5-yl)-3-(2-cyano-4,5-dimethoxy-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-cyano-4,5-dimethoxy-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-cyano-4,5-dimethoxy-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-cyano-4,5-dimethoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-cyano-4,5-dimethoxyphenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-cyano-4,5-dimethoxy-phenyl)thiourea Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=S)NC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=S)NC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C17H15N3O4S/c1-21-14-5-10(8-18)12(7-15(14)22-2)20-17(25)19-11-3-4-13-16(6-11)24-9-23-13/h3-7H,9H2,1-2H3,(H2,19,20,25)