N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]benzamide Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C24H30N4O4S/c1-2-3-9-16-32-20-13-8-7-12-19(20)23(31)26-24(33)28-27-22(30)15-14-21(29)25-17-18-10-5-4-6-11-18/h4-8,10-13H,2-3,9,14-17H2,1H3,(H,25,29)(H,27,30)(H2,26,28,31,33)