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

Systemtic Name: ethyl 4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-pyrrolidinosulfonylphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S2/c1-2-27-19(24)15-5-7-16(8-6-15)21-20(28)22-17-9-11-18(12-10-17)29(25,26)23-13-3-4-14-23/h5-12H,2-4,13-14H2,1H3,(H2,21,22,28)