S-[2-[[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] N-hexylcarbamothioate

Systemtic Name: S-[2-[[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] N-hexylcarbamothioate Openeye Name: S-[2-[[(1R)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]phenyl] N-hexylcarbamothioate CAS Name: N-hexylcarbamothioic acid S-[2-[[[(2R)-1-amino-1-oxopropan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]phenyl] N-hexylcarbamothioate Traditional Name: N-hexylthiocarbamic acid S-[2-[[(1R)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]phenyl] ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)SC1=CC=CC=C1C(=O)NC(C)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-3-4-5-8-11-19-17(23)24-14-10-7-6-9-13(14)16(22)20-12(2)15(18)21/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H2,18,21)(H,19,23)(H,20,22)/t12-/m1/s1