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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-methoxyphenyl)-oxomethyl]-3-(1-oxo-2-thiophen-2-ylethyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-(2-thiophen-2-ylacetyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-m-anisoyl-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide Formula: C25H32N4O4S MolecularWeight: 484.61098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4S/c1-33-20-6-2-5-17(15-20)25(32)29-13-4-12-28(22(30)16-21-7-3-14-34-21)24(29)23(31)27-19-10-8-18(26)9-11-19/h2-3,5-7,14-15,18-19,24H,4,8-13,16,26H2,1H3,(H,27,31)