N-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-butyl-carbamothioyl]benzamide

Systemtic Name: N-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-butyl-carbamothioyl]benzamide Openeye Name: N-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-butyl-carbamothioyl]benzamide CAS Name: N-[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-butylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylcarbamothioyl]benzamide Traditional Name: N-[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-butyl-thiocarbamoyl]benzamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N5O3S/c1-2-3-14-27(23(32)26-20(29)17-12-8-5-9-13-17)18-19(24)28(22(31)25-21(18)30)15-16-10-6-4-7-11-16/h4-13H,2-3,14-15,24H2,1H3,(H,25,30,31)(H,26,29,32)