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

Systemtic Name: methyl 2-[[(1-methylpiperidin-4-yl)-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(1-methyl-4-piperidyl)-(tetrahydrofuran-2-ylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(1-methyl-4-piperidinyl)-(2-oxolanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(1-methylpiperidin-4-yl)-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(1-methyl-4-piperidyl)-(tetrahydrofurfuryl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CC2CCCO2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1CCC(CC1)N(CC2CCCO2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H29N3O3S/c1-22-11-9-15(10-12-22)23(14-16-6-5-13-26-16)20(27)21-18-8-4-3-7-17(18)19(24)25-2/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,21,27)