N-(4-azanylcyclohexyl)-1-(3-fluorophenyl)carbonyl-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-fluorophenyl)carbonyl-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-fluorophenyl)-oxomethyl]-3-(1-oxo-2-thiophen-2-ylethyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-(2-thiophen-2-ylacetyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-fluorobenzoyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide Formula: C24H29FN4O3S MolecularWeight: 472.575463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CC(=CC=C2)F)C(=O)NC3CCC(CC3)N)C(=O)CC4=CC=CS4

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CC(=CC=C2)F)C(=O)NC3CCC(CC3)N)C(=O)CC4=CC=CS4

InChI

InChI=1S/C24H29FN4O3S/c25-17-5-1-4-16(14-17)24(32)29-12-3-11-28(21(30)15-20-6-2-13-33-20)23(29)22(31)27-19-9-7-18(26)8-10-19/h1-2,4-6,13-14,18-19,23H,3,7-12,15,26H2,(H,27,31)