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

Systemtic Name: (3S)-3-[(pentylcarbamothioylamino)carbamoyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: (3S)-3-[(pentylcarbamothioylamino)carbamoyl]-N-phenyl-piperidine-1-carboxamide CAS Name: (3S)-3-[oxo-[[(pentylamino)-sulfanylidenemethyl]hydrazo]methyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (3S)-3-[(pentylcarbamothioylamino)carbamoyl]-N-phenylpiperidine-1-carboxamide Traditional Name: (3S)-3-[(amylthiocarbamoylamino)carbamoyl]-N-phenyl-piperidine-1-carboxamide Formula: C19H29N5O2S MolecularWeight: 391.53086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O2S/c1-2-3-7-12-20-18(27)23-22-17(25)15-9-8-13-24(14-15)19(26)21-16-10-5-4-6-11-16/h4-6,10-11,15H,2-3,7-9,12-14H2,1H3,(H,21,26)(H,22,25)(H2,20,23,27)/t15-/m0/s1