methyl 2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-[(4-tert-butylphenyl)methyl]piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-tert-butylphenyl)methyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(4-tert-butylbenzyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C24H31N3O2S MolecularWeight: 425.58684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H31N3O2S/c1-24(2,3)19-11-9-18(10-12-19)17-26-13-15-27(16-14-26)23(30)25-21-8-6-5-7-20(21)22(28)29-4/h5-12H,13-17H2,1-4H3,(H,25,30)