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

Systemtic Name: 5-chloranyl-N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-chloro-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-[oxo-[(phenylmethyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-chloro-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C24H25ClN4O4S2 MolecularWeight: 533.0627

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H25ClN4O4S2/c1-2-12-35(32,33)24-27-14-17(25)20(28-24)22(31)29-23-19(16-10-6-7-11-18(16)34-23)21(30)26-13-15-8-4-3-5-9-15/h3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,26,30)(H,29,31)