2-diethylaminoethyl 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[4,6-dioxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidin-5-ylidene]methylamino]benzoate CAS Name: 4-[[4,6-dioxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinan-5-ylidene]methylamino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[4,6-dioxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinan-5-ylidene]methylamino]benzoate Traditional Name: 4-[[4,6-diketo-2-thioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidin-5-ylidene]methylamino]benzoic acid 2-diethylaminoethyl ester Formula: C25H25F3N4O4S MolecularWeight: 534.55061

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C25H25F3N4O4S/c1-3-31(4-2)12-13-36-23(35)16-8-10-18(11-9-16)29-15-20-21(33)30-24(37)32(22(20)34)19-7-5-6-17(14-19)25(26,27)28/h5-11,14-15,29H,3-4,12-13H2,1-2H3,(H,30,33,37)