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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloranyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-[(4-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-2-[(4-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C22H21ClN4O2S2 MolecularWeight: 473.01074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)Cl

InChI

InChI=1S/C22H21ClN4O2S2/c1-12-6-8-13(9-7-12)11-30-22-25-10-15(23)18(26-22)20(29)27-21-17(19(24)28)14-4-2-3-5-16(14)31-21/h6-10H,2-5,11H2,1H3,(H2,24,28)(H,27,29)