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

Systemtic Name: N2-(4-azanylcyclohexyl)-N1-(3-methylphenyl)-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(4-aminocyclohexyl)-N1-(m-tolyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(4-aminocyclohexyl)-N1-(3-methylphenyl)-3-(1-oxo-2-thiophen-2-ylethyl)-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(4-aminocyclohexyl)-N-(m-tolyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-1,2-dicarboxamide Formula: C25H33N5O3S MolecularWeight: 483.62622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)CC4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(C2C(=O)NC3CCC(CC3)N)C(=O)CC4=CC=CS4

InChI

InChI=1S/C25H33N5O3S/c1-17-5-2-6-20(15-17)28-25(33)30-13-4-12-29(22(31)16-21-7-3-14-34-21)24(30)23(32)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,27,32)(H,28,33)