ethyl 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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(=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-4-29-21(26)18-6-8-19(9-7-18)23-22(30)24-11-13-25(14-12-24)31(27,28)20-10-5-16(2)17(3)15-20/h5-10,15H,4,11-14H2,1-3H3,(H,23,30)