S-[2-[[(2R)-3-azanyl-2-methyl-3-oxidanylidene-propyl]carbamoyl]phenyl] N-octylcarbamothioate

Systemtic Name: S-[2-[[(2R)-3-azanyl-2-methyl-3-oxidanylidene-propyl]carbamoyl]phenyl] N-octylcarbamothioate Openeye Name: S-[2-[[(2R)-3-amino-2-methyl-3-oxo-propyl]carbamoyl]phenyl] N-octylcarbamothioate CAS Name: N-octylcarbamothioic acid S-[2-[[[(2R)-3-amino-2-methyl-3-oxopropyl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2R)-3-amino-2-methyl-3-oxopropyl]carbamoyl]phenyl] N-octylcarbamothioate Traditional Name: N-octylthiocarbamic acid S-[2-[[(2R)-3-amino-3-keto-2-methyl-propyl]carbamoyl]phenyl] ester Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)SC1=CC=CC=C1C(=O)NCC(C)C(=O)N

Isomeric SMILES

CCCCCCCCNC(=O)SC1=CC=CC=C1C(=O)NC[C@@H](C)C(=O)N

InChI

InChI=1S/C20H31N3O3S/c1-3-4-5-6-7-10-13-22-20(26)27-17-12-9-8-11-16(17)19(25)23-14-15(2)18(21)24/h8-9,11-12,15H,3-7,10,13-14H2,1-2H3,(H2,21,24)(H,22,26)(H,23,25)/t15-/m1/s1