ethyl 4-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(4-bromophenyl)-4-hydroxy-piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-bromophenyl)-4-hydroxy-piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H23BrN2O3S MolecularWeight: 463.38792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H23BrN2O3S/c1-2-27-19(25)15-3-9-18(10-4-15)23-20(28)24-13-11-21(26,12-14-24)16-5-7-17(22)8-6-16/h3-10,26H,2,11-14H2,1H3,(H,23,28)