ethyl 4-[[(1-methylpiperidin-4-yl)-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(1-methylpiperidin-4-yl)-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(1-methyl-4-piperidyl)-(tetrahydrofuran-2-ylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(1-methyl-4-piperidinyl)-(2-oxolanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1-methylpiperidin-4-yl)-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(1-methyl-4-piperidyl)-(tetrahydrofurfuryl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2CCCO2)C3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2CCCO2)C3CCN(CC3)C

InChI

InChI=1S/C21H31N3O3S/c1-3-26-20(25)16-6-8-17(9-7-16)22-21(28)24(15-19-5-4-14-27-19)18-10-12-23(2)13-11-18/h6-9,18-19H,3-5,10-15H2,1-2H3,(H,22,28)