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

Systemtic Name: tert-butyl N-[3-[(3-methylbutylcarbamothioylamino)carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[(isopentylcarbamothioylamino)carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[(3-methylbutylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(3-methylbutylcarbamothioylamino)carbamoyl]phenyl]carbamate Traditional Name: N-[3-[(isoamylthiocarbamoylamino)carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C18H28N4O3S MolecularWeight: 380.50492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3S/c1-12(2)9-10-19-16(26)22-21-15(23)13-7-6-8-14(11-13)20-17(24)25-18(3,4)5/h6-8,11-12H,9-10H2,1-5H3,(H,20,24)(H,21,23)(H2,19,22,26)