ethyl 4-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(3-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(3-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]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)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C

InChI

InChI=1S/C22H27N3O4S2/c1-3-29-21(26)17-6-8-18(9-7-17)23-22(30)24-19-10-12-20(13-11-19)31(27,28)25-14-4-5-16(2)15-25/h6-13,16H,3-5,14-15H2,1-2H3,(H2,23,24,30)