N-(2-azanylethyl)-1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3,5-difluorophenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C18H20F2N4O4S2 MolecularWeight: 458.502606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C18H20F2N4O4S2/c19-13-9-12(10-14(20)11-13)18(26)23-6-2-7-24(17(23)16(25)22-5-4-21)30(27,28)15-3-1-8-29-15/h1,3,8-11,17H,2,4-7,21H2,(H,22,25)