(phenylmethyl) 2-(2-azanylethylcarbamoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-azanylethylcarbamoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 2-(2-aminoethylcarbamoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C19H24N4O5S2 MolecularWeight: 452.54766

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)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O5S2/c20-9-10-21-17(24)18-22(19(25)28-14-15-6-2-1-3-7-15)11-5-12-23(18)30(26,27)16-8-4-13-29-16/h1-4,6-8,13,18H,5,9-12,14,20H2,(H,21,24)