S-(1,2,3-triazin-4-yl) 2-(diphenylcarbamoylamino)ethanethioate

Systemtic Name: S-(1,2,3-triazin-4-yl) 2-(diphenylcarbamoylamino)ethanethioate Openeye Name: S-(triazin-4-yl) 2-(diphenylcarbamoylamino)ethanethioate CAS Name: 2-[[oxo-(N-phenylanilino)methyl]amino]ethanethioic acid S-(4-triazinyl) ester IUPAC Name: S-(triazin-4-yl) 2-(diphenylcarbamoylamino)ethanethioate Traditional Name: 2-(diphenylcarbamoylamino)ethanethioic acid S-(triazin-4-yl) ester Formula: C18H15N5O2S MolecularWeight: 365.409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NCC(=O)SC3=NN=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NCC(=O)SC3=NN=NC=C3

InChI

InChI=1S/C18H15N5O2S/c24-17(26-16-11-12-20-22-21-16)13-19-18(25)23(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12H,13H2,(H,19,25)