2-diethylaminoethyl 4-(furan-2-ylmethylcarbamothioylamino)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(furan-2-ylmethylcarbamothioylamino)benzoate Openeye Name: 2-diethylaminoethyl 4-(2-furylmethylcarbamothioylamino)benzoate CAS Name: 4-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(furan-2-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(2-furfurylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CO2

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C19H25N3O3S/c1-3-22(4-2)11-13-25-18(23)15-7-9-16(10-8-15)21-19(26)20-14-17-6-5-12-24-17/h5-10,12H,3-4,11,13-14H2,1-2H3,(H2,20,21,26)