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

Systemtic Name: ethyl 4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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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)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H23N3O3S/c1-2-27-20(26)16-7-11-18(12-8-16)23-21(28)22-17-9-5-15(6-10-17)19(25)24-13-3-4-14-24/h5-12H,2-4,13-14H2,1H3,(H2,22,23,28)