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

Systemtic Name: tert-butyl N-[[4-[(cyclopentylcarbamothioylamino)carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[(cyclopentylcarbamothioylamino)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[[(cyclopentylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(cyclopentylcarbamothioylamino)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(cyclopentylthiocarbamoylamino)carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NNC(=S)NC2CCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NNC(=S)NC2CCCC2

InChI

InChI=1S/C19H28N4O3S/c1-19(2,3)26-18(25)20-12-13-8-10-14(11-9-13)16(24)22-23-17(27)21-15-6-4-5-7-15/h8-11,15H,4-7,12H2,1-3H3,(H,20,25)(H,22,24)(H2,21,23,27)