S-[2,6-bis(butylamino)-1H-1,2,3-triazin-4-yl] 2-(ethylcarbamoylamino)ethanethioate

Systemtic Name: S-[2,6-bis(butylamino)-1H-1,2,3-triazin-4-yl] 2-(ethylcarbamoylamino)ethanethioate Openeye Name: S-[2,6-bis(butylamino)-1H-triazin-4-yl] 2-(ethylcarbamoylamino)ethanethioate CAS Name: 2-(ethylcarbamoylamino)ethanethioic acid S-[2,6-bis(butylamino)-1H-triazin-4-yl] ester IUPAC Name: S-[2,6-bis(butylamino)-1H-triazin-4-yl] 2-(ethylcarbamoylamino)ethanethioate Traditional Name: 2-(ethylcarbamoylamino)ethanethioic acid S-[2,6-bis(butylamino)-1H-triazin-4-yl] ester Formula: C16H31N7O2S MolecularWeight: 385.52804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=NN(N1)NCCCC)SC(=O)CNC(=O)NCC

Isomeric SMILES

CCCCNC1=CC(=NN(N1)NCCCC)SC(=O)CNC(=O)NCC

InChI

InChI=1S/C16H31N7O2S/c1-4-7-9-18-13-11-14(22-23(21-13)20-10-8-5-2)26-15(24)12-19-16(25)17-6-3/h11,18,20-21H,4-10,12H2,1-3H3,(H2,17,19,25)