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

Systemtic Name: 5-chloranyl-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-[(3-ethoxypropylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(ethylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(ethylthio)pyrimidine-4-carboxamide Formula: C21H27ClN4O3S2 MolecularWeight: 483.04708

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SCC

Isomeric SMILES

CCOCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SCC

InChI

InChI=1S/C21H27ClN4O3S2/c1-3-29-11-7-10-23-18(27)16-13-8-5-6-9-15(13)31-20(16)26-19(28)17-14(22)12-24-21(25-17)30-4-2/h12H,3-11H2,1-2H3,(H,23,27)(H,26,28)