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

Systemtic Name: S-[2-[[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] N-pentylcarbamothioate Openeye Name: S-[2-[[(1R)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]phenyl] N-pentylcarbamothioate CAS Name: N-pentylcarbamothioic 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-pentylcarbamothioate Traditional Name: N-amylthiocarbamic acid S-[2-[[(1R)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]phenyl] ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-3-4-7-10-18-16(22)23-13-9-6-5-8-12(13)15(21)19-11(2)14(17)20/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,17,20)(H,18,22)(H,19,21)/t11-/m1/s1