methyl 4-[[ethyl-[1-(phenylmethyl)pyrrolidin-3-yl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 4-[[ethyl-[1-(phenylmethyl)pyrrolidin-3-yl]carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[(1-benzylpyrrolidin-3-yl)-ethyl-carbamothioyl]amino]benzoate CAS Name: 4-[[[ethyl-[1-(phenylmethyl)-3-pyrrolidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-benzylpyrrolidin-3-yl)-ethylcarbamothioyl]amino]benzoate Traditional Name: 4-[[(1-benzylpyrrolidin-3-yl)-ethyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(C1)CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(C1CCN(C1)CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O2S/c1-3-25(20-13-14-24(16-20)15-17-7-5-4-6-8-17)22(28)23-19-11-9-18(10-12-19)21(26)27-2/h4-12,20H,3,13-16H2,1-2H3,(H,23,28)