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

Systemtic Name: 5-chloranyl-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(ethylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(ethylthio)pyrimidine-4-carboxamide Formula: C18H21ClN4O2S2 MolecularWeight: 424.96794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O2S2/c1-3-20-15(24)13-10-7-5-6-8-12(10)27-17(13)23-16(25)14-11(19)9-21-18(22-14)26-4-2/h9H,3-8H2,1-2H3,(H,20,24)(H,23,25)