1-[2-(2-oxidanylidene-3-phenyl-4-propyl-chromen-7-yl)oxyethanoylamino]thiourea

Systemtic Name: 1-[2-(2-oxidanylidene-3-phenyl-4-propyl-chromen-7-yl)oxyethanoylamino]thiourea Openeye Name: [[2-(2-oxo-3-phenyl-4-propyl-chromen-7-yl)oxyacetyl]amino]thiourea CAS Name: [[1-oxo-2-[(2-oxo-3-phenyl-4-propyl-1-benzopyran-7-yl)oxy]ethyl]amino]thiourea IUPAC Name: [[2-(2-oxo-3-phenyl-4-propylchromen-7-yl)oxyacetyl]amino]thiourea Traditional Name: [[2-(2-keto-3-phenyl-4-propyl-chromen-7-yl)oxyacetyl]amino]thiourea Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NNC(=S)N)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NNC(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-2-6-16-15-10-9-14(27-12-18(25)23-24-21(22)29)11-17(15)28-20(26)19(16)13-7-4-3-5-8-13/h3-5,7-11H,2,6,12H2,1H3,(H,23,25)(H3,22,24,29)