N-(2-azanylethyl)-1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-phenylpropanoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(1-oxo-3-phenylpropyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-hydrocinnamoyl-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)CCC3=CC=CC=C3

InChI

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