N-[4-[(prop-2-enylcarbamothioylamino)carbamoyl]phenyl]pentanamide

Systemtic Name: N-[4-[(prop-2-enylcarbamothioylamino)carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[(allylcarbamothioylamino)carbamoyl]phenyl]pentanamide CAS Name: N-[4-[oxo-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]pentanamide IUPAC Name: N-[4-[(prop-2-enylcarbamothioylamino)carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[(allylthiocarbamoylamino)carbamoyl]phenyl]valeramide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NCC=C

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NCC=C

InChI

InChI=1S/C16H22N4O2S/c1-3-5-6-14(21)18-13-9-7-12(8-10-13)15(22)19-20-16(23)17-11-4-2/h4,7-10H,2-3,5-6,11H2,1H3,(H,18,21)(H,19,22)(H2,17,20,23)