1-(1,3-benzodioxol-5-yl)-3-[(3,4,5-triethoxyphenyl)carbonylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(3,4,5-triethoxyphenyl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(3,4,5-triethoxybenzoyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(3,4,5-triethoxybenzoyl)amino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[(3,4,5-triethoxybenzoyl)amino]thiourea Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H25N3O6S/c1-4-26-17-9-13(10-18(27-5-2)19(17)28-6-3)20(25)23-24-21(31)22-14-7-8-15-16(11-14)30-12-29-15/h7-11H,4-6,12H2,1-3H3,(H,23,25)(H2,22,24,31)