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

Systemtic Name: 5-chloranyl-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(propylthio)pyrimidine-4-carboxamide Formula: C19H23ClN4O2S2 MolecularWeight: 438.99452

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC)Cl

InChI

InChI=1S/C19H23ClN4O2S2/c1-3-9-27-19-22-10-12(20)15(23-19)17(26)24-18-14(16(25)21-4-2)11-7-5-6-8-13(11)28-18/h10H,3-9H2,1-2H3,(H,21,25)(H,24,26)