N2-(4-azanylcyclohexyl)-N1-(4-methoxyphenyl)-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(4-methoxyphenyl)-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(4-methoxyphenyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(4-methoxyphenyl)-3-(1-oxo-2-thiophen-2-ylethyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-(4-methoxyphenyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-1,2-dicarboxamide Formula: C25H33N5O4S MolecularWeight: 499.62562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)CC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)CC4=CC=CS4

InChI

InChI=1S/C25H33N5O4S/c1-34-20-11-9-19(10-12-20)28-25(33)30-14-3-13-29(22(31)16-21-4-2-15-35-21)24(30)23(32)27-18-7-5-17(26)6-8-18/h2,4,9-12,15,17-18,24H,3,5-8,13-14,16,26H2,1H3,(H,27,32)(H,28,33)