2-methyl-N-[3-(pyrrolidin-1-ylcarbamothioylamino)phenyl]pentanamide

Systemtic Name: 2-methyl-N-[3-(pyrrolidin-1-ylcarbamothioylamino)phenyl]pentanamide Openeye Name: 2-methyl-N-[3-(pyrrolidin-1-ylcarbamothioylamino)phenyl]pentanamide CAS Name: 2-methyl-N-[3-[[(1-pyrrolidinylamino)-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: 2-methyl-N-[3-(pyrrolidin-1-ylcarbamothioylamino)phenyl]pentanamide Traditional Name: 2-methyl-N-[3-(pyrrolidinothiocarbamoylamino)phenyl]valeramide Formula: C17H26N4OS MolecularWeight: 334.47954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NN2CCCC2

Isomeric SMILES

CCCC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NN2CCCC2

InChI

InChI=1S/C17H26N4OS/c1-3-7-13(2)16(22)18-14-8-6-9-15(12-14)19-17(23)20-21-10-4-5-11-21/h6,8-9,12-13H,3-5,7,10-11H2,1-2H3,(H,18,22)(H2,19,20,23)