1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-diethoxyphenyl)ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-diethoxyphenyl)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(3,4-diethoxyphenyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(3,4-diethoxyphenyl)acetyl]amino]thiourea Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2=CC3=C(C=C2)OCO3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2=CC3=C(C=C2)OCO3)OCC

InChI

InChI=1S/C20H23N3O5S/c1-3-25-15-7-5-13(9-17(15)26-4-2)10-19(24)22-23-20(29)21-14-6-8-16-18(11-14)28-12-27-16/h5-9,11H,3-4,10,12H2,1-2H3,(H,22,24)(H2,21,23,29)