tert-butyl N-[3-[(cyclopentylcarbamothioylamino)carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[(cyclopentylcarbamothioylamino)carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[(cyclopentylcarbamothioylamino)carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[(cyclopentylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(cyclopentylcarbamothioylamino)carbamoyl]phenyl]carbamate Traditional Name: N-[3-[(cyclopentylthiocarbamoylamino)carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NNC(=S)NC2CCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NNC(=S)NC2CCCC2

InChI

InChI=1S/C18H26N4O3S/c1-18(2,3)25-17(24)20-14-10-6-7-12(11-14)15(23)21-22-16(26)19-13-8-4-5-9-13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,20,24)(H,21,23)(H2,19,22,26)