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

Systemtic Name: 5-chloranyl-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-[(3-methoxypropylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C21H27ClN4O5S2 MolecularWeight: 515.04588

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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)NCCCOC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O5S2/c1-3-11-33(29,30)21-24-12-14(22)17(25-21)19(28)26-20-16(18(27)23-9-6-10-31-2)13-7-4-5-8-15(13)32-20/h12H,3-11H2,1-2H3,(H,23,27)(H,26,28)