(3S)-3-[(tert-butylcarbamothioylamino)carbamoyl]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: (3S)-3-[(tert-butylcarbamothioylamino)carbamoyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: (3S)-3-[(tert-butylcarbamothioylamino)carbamoyl]-N-phenyl-piperidine-1-carboxamide CAS Name: (3S)-3-[[[(tert-butylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (3S)-3-[(tert-butylcarbamothioylamino)carbamoyl]-N-phenylpiperidine-1-carboxamide Traditional Name: (3S)-3-[(tert-butylthiocarbamoylamino)carbamoyl]-N-phenyl-piperidine-1-carboxamide Formula: C18H27N5O2S MolecularWeight: 377.50428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1CCCN(C1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)[C@H]1CCCN(C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H27N5O2S/c1-18(2,3)20-16(26)22-21-15(24)13-8-7-11-23(12-13)17(25)19-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,19,25)(H,21,24)(H2,20,22,26)/t13-/m0/s1