ethyl 4-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(benzenesulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[(4-besylpiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C20H23N3O4S2 MolecularWeight: 433.54432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S2/c1-2-27-19(24)16-8-10-17(11-9-16)21-20(28)22-12-14-23(15-13-22)29(25,26)18-6-4-3-5-7-18/h3-11H,2,12-15H2,1H3,(H,21,28)