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

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]hexanamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]hexanamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]hexanamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]hexanamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-2-3-5-10-16(22)19-17(23)20(12-11-15(18)21)13-14-8-6-4-7-9-14/h4,6-9H,2-3,5,10-13H2,1H3,(H2,18,21)(H,19,22,23)