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

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]octanamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]octanamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]octanamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]caprylamide Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-2-3-4-5-9-12-18(24)21-19(25)22(14-13-17(20)23)15-16-10-7-6-8-11-16/h6-8,10-11H,2-5,9,12-15H2,1H3,(H2,20,23)(H,21,24,25)