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

Systemtic Name: methyl 2-[[4-[(4-tert-butylphenyl)carbonylamino]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-[(4-tert-butylbenzoyl)amino]piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-tert-butylbenzoyl)amino]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-[(4-tert-butylbenzoyl)amino]piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H31N3O3S/c1-25(2,3)18-11-9-17(10-12-18)22(29)26-19-13-15-28(16-14-19)24(32)27-21-8-6-5-7-20(21)23(30)31-4/h5-12,19H,13-16H2,1-4H3,(H,26,29)(H,27,32)