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

Systemtic Name: S-[2-[[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] N-octylcarbamothioate Openeye Name: S-[2-[[(1R)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]phenyl] N-octylcarbamothioate CAS Name: N-octylcarbamothioic 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-octylcarbamothioate Traditional Name: N-octylthiocarbamic acid S-[2-[[(1R)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]phenyl] ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-3-4-5-6-7-10-13-21-19(25)26-16-12-9-8-11-15(16)18(24)22-14(2)17(20)23/h8-9,11-12,14H,3-7,10,13H2,1-2H3,(H2,20,23)(H,21,25)(H,22,24)/t14-/m1/s1