ethyl 4-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C22H25N3O3S/c1-2-28-21(27)17-8-12-19(13-9-17)24-22(29)23-18-10-6-16(7-11-18)20(26)25-14-4-3-5-15-25/h6-13H,2-5,14-15H2,1H3,(H2,23,24,29)