N-(4-azanylcyclohexyl)-1-(phenylmethyl)sulfonyl-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(phenylmethyl)sulfonyl-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(1-oxo-2-thiophen-2-ylethyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(2-thiophen-2-ylacetyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide Formula: C24H32N4O4S2 MolecularWeight: 504.66528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)CC4=CC=CS4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)CC4=CC=CS4

InChI

InChI=1S/C24H32N4O4S2/c25-19-9-11-20(12-10-19)26-23(30)24-27(22(29)16-21-8-4-15-33-21)13-5-14-28(24)34(31,32)17-18-6-2-1-3-7-18/h1-4,6-8,15,19-20,24H,5,9-14,16-17,25H2,(H,26,30)