1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(2,5-diethoxyphenyl)ethylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(2,5-diethoxyphenyl)ethylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(2,5-diethoxyphenyl)ethylideneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(2,5-diethoxyphenyl)ethylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(2,5-diethoxyphenyl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(2,5-diethoxyphenyl)ethylideneamino]-3-piperonyl-thiourea Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)C(=NNC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)/C(=N\NC(=S)NCC2=CC3=C(C=C2)OCO3)/C

InChI

InChI=1S/C21H25N3O4S/c1-4-25-16-7-9-18(26-5-2)17(11-16)14(3)23-24-21(29)22-12-15-6-8-19-20(10-15)28-13-27-19/h6-11H,4-5,12-13H2,1-3H3,(H2,22,24,29)/b23-14-