S-butyl N-[3-[2-(butoxymethoxy)ethyl-propanethioyl-amino]phenyl]carbamothioate

Systemtic Name: S-butyl N-[3-[2-(butoxymethoxy)ethyl-propanethioyl-amino]phenyl]carbamothioate Openeye Name: S-butyl N-[3-[2-(butoxymethoxy)ethyl-propanethioyl-amino]phenyl]carbamothioate CAS Name: N-[3-[2-(butoxymethoxy)ethyl-(1-sulfanylidenepropyl)amino]phenyl]carbamothioic acid S-butyl ester IUPAC Name: S-butyl N-[3-[2-(butoxymethoxy)ethyl-propanethioylamino]phenyl]carbamothioate Traditional Name: N-[3-[2-(butoxymethoxy)ethyl-propanethioyl-amino]phenyl]thiocarbamic acid S-butyl ester Formula: C21H34N2O3S2 MolecularWeight: 426.63626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCOCCN(C1=CC=CC(=C1)NC(=O)SCCCC)C(=S)CC

Isomeric SMILES

CCCCOCOCCN(C1=CC=CC(=C1)NC(=O)SCCCC)C(=S)CC

InChI

InChI=1S/C21H34N2O3S2/c1-4-7-13-25-17-26-14-12-23(20(27)6-3)19-11-9-10-18(16-19)22-21(24)28-15-8-5-2/h9-11,16H,4-8,12-15,17H2,1-3H3,(H,22,24)