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

Systemtic Name: tert-butyl N-[[4-[(pentylcarbamothioylamino)carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[(pentylcarbamothioylamino)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[[(pentylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(pentylcarbamothioylamino)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(amylthiocarbamoylamino)carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C19H30N4O3S MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O3S/c1-5-6-7-12-20-17(27)23-22-16(24)15-10-8-14(9-11-15)13-21-18(25)26-19(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,21,25)(H,22,24)(H2,20,23,27)