(phenylmethyl) N-[(2S)-1-oxidanylidene-3-phenyl-1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-oxidanylidene-3-phenyl-1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-[2-(isopropylcarbamothioyl)hydrazino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-oxo-3-phenyl-1-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazo]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-oxo-3-phenyl-1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]propan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[N'-(isopropylthiocarbamoyl)hydrazino]-2-keto-ethyl]carbamic acid benzyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=S)NNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N4O3S/c1-15(2)22-20(29)25-24-19(26)18(13-16-9-5-3-6-10-16)23-21(27)28-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,23,27)(H,24,26)(H2,22,25,29)/t18-/m0/s1