S-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl] 2-(phenylcarbamoylamino)ethanethioate

Systemtic Name: S-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl] 2-(phenylcarbamoylamino)ethanethioate Openeye Name: S-[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl] 2-(phenylcarbamoylamino)ethanethioate CAS Name: 2-[[anilino(oxo)methyl]amino]ethanethioic acid S-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl] ester IUPAC Name: S-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl] 2-(phenylcarbamoylamino)ethanethioate Traditional Name: 2-(phenylcarbamoylamino)ethanethioic acid S-[4,6-bis(isopropylamino)-s-triazin-2-yl] ester Formula: C18H25N7O2S MolecularWeight: 403.5018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC(=N1)SC(=O)CNC(=O)NC2=CC=CC=C2)NC(C)C

Isomeric SMILES

CC(C)NC1=NC(=NC(=N1)SC(=O)CNC(=O)NC2=CC=CC=C2)NC(C)C

InChI

InChI=1S/C18H25N7O2S/c1-11(2)20-15-23-16(21-12(3)4)25-18(24-15)28-14(26)10-19-17(27)22-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H2,19,22,27)(H2,20,21,23,24,25)