N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]pentanamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]pentanamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]pentanamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]pentanamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]valeramide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)N(CCC(=O)N)CC1=CC=CC=C1

Isomeric SMILES

CCCCC(=O)NC(=S)N(CCC(=O)N)CC1=CC=CC=C1

InChI

InChI=1S/C16H23N3O2S/c1-2-3-9-15(21)18-16(22)19(11-10-14(17)20)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H2,17,20)(H,18,21,22)