1-(1,3-benzodioxol-5-yl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[1-oxo-2-(4-phenylphenoxy)propyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1=CC2=C(C=C1)OCO2)OC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NNC(=S)NC1=CC2=C(C=C1)OCO2)OC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S/c1-15(30-19-10-7-17(8-11-19)16-5-3-2-4-6-16)22(27)25-26-23(31)24-18-9-12-20-21(13-18)29-14-28-20/h2-13,15H,14H2,1H3,(H,25,27)(H2,24,26,31)