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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(4-methylphenyl)carbonyl-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(4-methylphenyl)-oxomethyl]-3-(1-oxo-2-thiophen-2-ylethyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(4-methylbenzoyl)-3-(2-thiophen-2-ylacetyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-p-toluoyl-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3S/c1-17-5-7-18(8-6-17)25(32)29-14-3-13-28(22(30)16-21-4-2-15-33-21)24(29)23(31)27-20-11-9-19(26)10-12-20/h2,4-8,15,19-20,24H,3,9-14,16,26H2,1H3,(H,27,31)