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

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-chloro-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[3-[oxo-[(phenylmethyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pyrimidinecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-chloro-2-(ethylthio)pyrimidine-4-carboxamide Formula: C23H23ClN4O2S2 MolecularWeight: 487.03732

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4O2S2/c1-2-31-23-26-13-16(24)19(27-23)21(30)28-22-18(15-10-6-7-11-17(15)32-22)20(29)25-12-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,25,29)(H,28,30)