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

Systemtic Name: phenyl 2-(2-azanylethylcarbamoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O5S2/c19-9-10-20-16(23)17-21(18(24)27-14-6-2-1-3-7-14)11-5-12-22(17)29(25,26)15-8-4-13-28-15/h1-4,6-8,13,17H,5,9-12,19H2,(H,20,23)