O-[3-[decan-3-yloxy(propanoyl)amino]phenyl] N-methyl-N-(phenylmethyl)carbamothioate

Systemtic Name: O-[3-[decan-3-yloxy(propanoyl)amino]phenyl] N-methyl-N-(phenylmethyl)carbamothioate Openeye Name: O-[3-[1-ethyloctoxy(propanoyl)amino]phenyl] N-benzyl-N-methyl-carbamothioate CAS Name: N-methyl-N-(phenylmethyl)carbamothioic acid O-[3-[decan-3-yloxy(1-oxopropyl)amino]phenyl] ester IUPAC Name: O-[3-[decan-3-yloxy(propanoyl)amino]phenyl] N-benzyl-N-methylcarbamothioate Traditional Name: N-benzyl-N-methyl-thiocarbamic acid O-[3-[1-ethyloctoxy(propionyl)amino]phenyl] ester Formula: C28H40N2O3S MolecularWeight: 484.6938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC)ON(C1=CC(=CC=C1)OC(=S)N(C)CC2=CC=CC=C2)C(=O)CC

Isomeric SMILES

CCCCCCCC(CC)ON(C1=CC(=CC=C1)OC(=S)N(C)CC2=CC=CC=C2)C(=O)CC

InChI

InChI=1S/C28H40N2O3S/c1-5-8-9-10-14-19-25(6-2)33-30(27(31)7-3)24-18-15-20-26(21-24)32-28(34)29(4)22-23-16-12-11-13-17-23/h11-13,15-18,20-21,25H,5-10,14,19,22H2,1-4H3