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

Systemtic Name: (3S)-3-[(3-methylbutylcarbamothioylamino)carbamoyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: (3S)-3-[(isopentylcarbamothioylamino)carbamoyl]-N-phenyl-piperidine-1-carboxamide CAS Name: (3S)-3-[[[(3-methylbutylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (3S)-3-[(3-methylbutylcarbamothioylamino)carbamoyl]-N-phenylpiperidine-1-carboxamide Traditional Name: (3S)-3-[(isoamylthiocarbamoylamino)carbamoyl]-N-phenyl-piperidine-1-carboxamide Formula: C19H29N5O2S MolecularWeight: 391.53086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O2S/c1-14(2)10-11-20-18(27)23-22-17(25)15-7-6-12-24(13-15)19(26)21-16-8-4-3-5-9-16/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H,21,26)(H,22,25)(H2,20,23,27)/t15-/m0/s1