ethyl 4-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]amino]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C23H29N5O4S/c1-4-32-23(31)28-11-9-19(10-12-28)21(30)27-26-20(29)18-7-5-17(6-8-18)14-33-22-24-15(2)13-16(3)25-22/h5-8,13,19H,4,9-12,14H2,1-3H3,(H,26,29)(H,27,30)