tert-butyl 2-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(3-benzyloxyphenyl)carbamothioylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[[(3-phenylmethoxyanilino)-sulfanylidenemethyl]amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(3-benzoxyphenyl)thiocarbamoylcarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4S/c1-24(2,3)31-23(29)27-14-8-13-20(27)21(28)26-22(32)25-18-11-7-12-19(15-18)30-16-17-9-5-4-6-10-17/h4-7,9-12,15,20H,8,13-14,16H2,1-3H3,(H2,25,26,28,32)