ethyl 4-[[3-(diethylamino)propyl-(furan-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-(diethylamino)propyl-(furan-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[3-(diethylamino)propyl-(2-furylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[3-(diethylamino)propyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(diethylamino)propyl-(furan-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[3-(diethylamino)propyl-(2-furfuryl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN(CC1=CC=CO1)C(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)CCCN(CC1=CC=CO1)C(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C22H31N3O3S/c1-4-24(5-2)14-8-15-25(17-20-9-7-16-28-20)22(29)23-19-12-10-18(11-13-19)21(26)27-6-3/h7,9-13,16H,4-6,8,14-15,17H2,1-3H3,(H,23,29)