(3S)-3-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: (3S)-3-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: (3S)-3-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide CAS Name: (3S)-3-[[[[[(2S)-2-methylheptyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (3S)-3-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]-N-phenylpiperidine-1-carboxamide Traditional Name: (3S)-3-[[[(2S)-2-methylheptyl]thiocarbamoylamino]carbamoyl]-N-phenyl-piperidine-1-carboxamide Formula: C22H35N5O2S MolecularWeight: 433.6106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O2S/c1-3-4-6-10-17(2)15-23-21(30)26-25-20(28)18-11-9-14-27(16-18)22(29)24-19-12-7-5-8-13-19/h5,7-8,12-13,17-18H,3-4,6,9-11,14-16H2,1-2H3,(H,24,29)(H,25,28)(H2,23,26,30)/t17-,18-/m0/s1