1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(3,4-dimethoxyphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(3,4-dimethoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyleneamino)-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-(piperonylideneamino)thiourea Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NN=CC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NN=CC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C17H17N3O4S/c1-21-13-6-4-12(8-15(13)22-2)19-17(25)20-18-9-11-3-5-14-16(7-11)24-10-23-14/h3-9H,10H2,1-2H3,(H2,19,20,25)