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

Systemtic Name: 5-chloranyl-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-mesyl-pyrimidine-4-carboxamide Formula: C17H19ClN4O4S2 MolecularWeight: 442.94016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C

Isomeric SMILES

CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C

InChI

InChI=1S/C17H19ClN4O4S2/c1-3-19-14(23)12-9-6-4-5-7-11(9)27-16(12)22-15(24)13-10(18)8-20-17(21-13)28(2,25)26/h8H,3-7H2,1-2H3,(H,19,23)(H,22,24)