(phenylmethyl) N-[(2S)-1-[2-(cyclopentylcarbamothioyl)hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[2-(cyclopentylcarbamothioyl)hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[(cyclopentylcarbamothioylamino)carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(cyclopentylamino)-sulfanylidenemethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[2-(cyclopentylcarbamothioyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(cyclopentylthiocarbamoylamino)carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NNC(=S)NC1CCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NNC(=S)NC1CCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H28N4O3S/c1-13(2)16(21-19(25)26-12-14-8-4-3-5-9-14)17(24)22-23-18(27)20-15-10-6-7-11-15/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3,(H,21,25)(H,22,24)(H2,20,23,27)/t16-/m0/s1