ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[ethyl(2-hydroxyethyl)amino]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCN(CCO)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H25N3O3S/c1-3-23(13-14-24)18-11-9-17(10-12-18)22-20(27)21-16-7-5-15(6-8-16)19(25)26-4-2/h5-12,24H,3-4,13-14H2,1-2H3,(H2,21,22,27)