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

Systemtic Name: N-(2-azanylethyl)-1-(phenylmethyl)sulfonyl-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(1-oxo-2-thiophen-2-ylethyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(2-thiophen-2-ylacetyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCN)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCN)C(=O)CC3=CC=CS3

InChI

InChI=1S/C20H26N4O4S2/c21-9-10-22-19(26)20-23(18(25)14-17-8-4-13-29-17)11-5-12-24(20)30(27,28)15-16-6-2-1-3-7-16/h1-4,6-8,13,20H,5,9-12,14-15,21H2,(H,22,26)