tert-butyl N-[[4-[(3-methylbutylcarbamothioylamino)carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[(3-methylbutylcarbamothioylamino)carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[(isopentylcarbamothioylamino)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[[(3-methylbutylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(3-methylbutylcarbamothioylamino)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(isoamylthiocarbamoylamino)carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C19H30N4O3S MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=CC=C(C=C1)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=CC=C(C=C1)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C19H30N4O3S/c1-13(2)10-11-20-17(27)23-22-16(24)15-8-6-14(7-9-15)12-21-18(25)26-19(3,4)5/h6-9,13H,10-12H2,1-5H3,(H,21,25)(H,22,24)(H2,20,23,27)