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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)Cl

InChI

InChI=1S/C22H21ClN4O2S2/c1-12-6-2-3-7-13(12)11-30-22-25-10-15(23)18(26-22)20(29)27-21-17(19(24)28)14-8-4-5-9-16(14)31-21/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H2,24,28)(H,27,29)