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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O2S2/c1-12-5-4-6-13(9-12)11-30-22-25-10-15(23)18(26-22)20(29)27-21-17(19(24)28)14-7-2-3-8-16(14)31-21/h4-6,9-10H,2-3,7-8,11H2,1H3,(H2,24,28)(H,27,29)