5-chloranyl-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-[(3-ethoxypropylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C22H29ClN4O5S2 MolecularWeight: 529.07246

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCCOCC)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCCOCC)Cl

InChI

InChI=1S/C22H29ClN4O5S2/c1-3-12-34(30,31)22-25-13-15(23)18(26-22)20(29)27-21-17(14-8-5-6-9-16(14)33-21)19(28)24-10-7-11-32-4-2/h13H,3-12H2,1-2H3,(H,24,28)(H,27,29)