(3S)-3-[[(2-ethyl-6-methyl-phenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide

Systemtic Name: (3S)-3-[[(2-ethyl-6-methyl-phenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide Openeye Name: (3S)-3-[[(2-ethyl-6-methyl-phenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide CAS Name: (3S)-3-[[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[[(2-ethyl-6-methylphenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide Traditional Name: (3S)-3-[[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]carbamoyl]piperidine-1-carboxamide Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2CCCN(C2)C(=O)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)[C@H]2CCCN(C2)C(=O)N)C

InChI

InChI=1S/C17H25N5O2S/c1-3-12-7-4-6-11(2)14(12)19-17(25)21-20-15(23)13-8-5-9-22(10-13)16(18)24/h4,6-7,13H,3,5,8-10H2,1-2H3,(H2,18,24)(H,20,23)(H2,19,21,25)/t13-/m0/s1