[2-(2-oxidanylidene-3-phenyl-4-propyl-chromen-7-yl)oxyethanoylamino]carbamodithioic acid

Systemtic Name: [2-(2-oxidanylidene-3-phenyl-4-propyl-chromen-7-yl)oxyethanoylamino]carbamodithioic acid Openeye Name: [[2-(2-oxo-3-phenyl-4-propyl-chromen-7-yl)oxyacetyl]amino]carbamodithioic acid CAS Name: [[1-oxo-2-[(2-oxo-3-phenyl-4-propyl-1-benzopyran-7-yl)oxy]ethyl]amino]carbamodithioic acid IUPAC Name: [[2-(2-oxo-3-phenyl-4-propylchromen-7-yl)oxyacetyl]amino]carbamodithioic acid Traditional Name: [[2-(2-keto-3-phenyl-4-propyl-chromen-7-yl)oxyacetyl]amino]carbamodithioic acid Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S2/c1-2-6-16-15-10-9-14(26-12-18(24)22-23-21(28)29)11-17(15)27-20(25)19(16)13-7-4-3-5-8-13/h3-5,7-11H,2,6,12H2,1H3,(H,22,24)(H2,23,28,29)